M84
Summary
| Name: | 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID |
| Formula: | C16 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 269.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-{4-[(phenylcarbonyl)amino]phenyl}propanoic acid |
| OpenEye OEToolkits | 1.6.1 | 3-(4-benzamidophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccc(cc1)CCC(=O)O)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CCc1ccc(NC(=O)c2ccccc2)cc1 |
| SMILES | CACTVS | 3.352 | OC(=O)CCc1ccc(NC(=O)c2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H15NO3/c18-15(19)11-8-12-6-9-14(10-7-12)17-16(20)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,20)(H,18,19) |
| InChIKey | InChI | 1.03 | YJZMWAPBBIMKSU-UHFFFAOYSA-N |
