4031 -OEChem-08132000093D 66 67 0 1 0 0 0 0 0999 V2000 3.0817 -1.9867 -0.4038 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1641 1.0329 -0.5507 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 -3.2435 0.0879 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 2.6600 0.4814 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1912 2.7246 -0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6987 -0.5118 1.0126 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.1585 -0.5856 1.0943 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1906 -1.4633 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7525 -0.6127 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -1.7951 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2772 0.8493 0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5326 -1.8237 1.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8272 -2.7847 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1959 -0.1737 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7998 1.8519 1.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 -3.1554 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2172 -1.1131 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5082 1.1713 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5506 -0.7074 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8416 1.5770 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8629 0.6376 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 -2.1738 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1364 -0.8819 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 0.2994 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4772 -0.8493 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4125 2.4229 -0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1689 1.5131 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1638 0.3645 -0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5097 1.5456 -0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1497 2.5402 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5584 2.6713 -0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5855 0.2432 1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2735 -1.0930 -0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 -2.4203 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -1.6146 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 0.0464 -1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 -2.2228 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8859 -0.8886 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 0.9115 0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 1.1667 -0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9899 -1.8465 2.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5999 -1.8090 2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3404 -2.7655 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7751 -2.3294 -1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 -3.6948 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8401 2.1371 1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6976 1.4898 2.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2153 2.7767 1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3359 -3.6409 0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 -3.8534 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9879 -2.1643 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7206 1.9125 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3418 -1.4438 -0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0131 2.6366 -0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4454 0.2267 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9993 -1.7611 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4989 2.5580 -0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0337 2.7605 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0278 3.0269 0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2024 0.3140 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5312 2.1700 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 1.9428 1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 3.5480 1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9431 3.6961 -0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6615 2.3225 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 2.0850 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 21 1 0 0 0 0 2 26 1 0 0 0 0 3 22 2 0 0 0 0 4 27 1 0 0 0 0 4 30 1 0 0 0 0 5 29 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 16 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 18 20 2 0 0 0 0 18 52 1 0 0 0 0 19 21 2 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 M END > DB12554 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VYVKHNNGDFVQGA-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CCCCOC(=O)C1=CC(OC)=C(OC)C=C1)C(C)CC1=CC=C(OC)C=C1 > InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3 > VYVKHNNGDFVQGA-UHFFFAOYSA-N > C25H35NO5 > 429.557 > 429.251523231 > 5 > 66 > 0.999506390850786 > 49.65984231228351 > 1 > 0 > 0 > 1 > 4-{ethyl[1-(4-methoxyphenyl)propan-2-yl]amino}butyl 3,4-dimethoxybenzoate > 4.87 > 4.886193216999999 > -5.17 > 0 > 1 > 2 > 1 > 10.306402370223292 > 57.230000000000004 > 123.53700000000003 > 14 > 1 > 2.90e-03 g/l > unii-71TH42O2CQ > 0 $$$$