7SM
Summary
Name: | 6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
Formula: | C30 H33 N O5 |
Formal charge: | 0 |
Formula weight: | 487.587 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
OpenEye OEToolkits | 2.0.6 | 6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)phenyl]carbonyl-amino]methyl]phenoxy]hexanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4c(CN(C1CC1)C(c3ccc(c2cccc(c2)OC)cc3)=O)c(OCCCCCC(=O)O)ccc4 |
InChI | InChI | 1.03 | InChI=1S/C30H33NO5/c1-35-27-10-7-9-24(20-27)22-13-15-23(16-14-22)30(34)31(26-17-18-26)21-25-8-4-5-11-28(25)36-19-6-2-3-12-29(32)33/h4-5,7-11,13-16,20,26H,2-3,6,12,17-19,21H2,1H3,(H,32,33) |
InChIKey | InChI | 1.03 | LOAQBTNAQOXHNZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4 |
SMILES | CACTVS | 3.385 | COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 |