7SS
Summary
| Name: | 6-(2-{[cyclopropyl(4'-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(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
| OpenEye OEToolkits | 2.0.6 | 6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)phenyl]carbonyl-amino]methyl]phenoxy]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c4c(CN(C1CC1)C(c2ccc(cc2)c3ccc(cc3)OC)=O)c(ccc4)OCCCCCC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C30H33NO5/c1-35-27-18-14-23(15-19-27)22-10-12-24(13-11-22)30(34)31(26-16-17-26)21-25-7-4-5-8-28(25)36-20-6-2-3-9-29(32)33/h4-5,7-8,10-15,18-19,26H,2-3,6,9,16-17,20-21H2,1H3,(H,32,33) |
| InChIKey | InChI | 1.03 | KGVIWPXNLFKQLW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4 |
