VIJ
Summary
| Name: | 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid |
| Synonyms: | N-(p-Amylcinnamoyl)anthranilic acid |
| Formula: | C21 H23 N O3 |
| Formal charge: | 0 |
| Formula weight: | 337.412 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+ |
| InChIKey | InChI | 1.06 | GAMRBCZMOOMBSQ-CCEZHUSRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | CCCCCc1ccc(C=CC(=O)Nc2ccccc2C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCc1ccc(cc1)/C=C/C(=O)Nc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCc1ccc(cc1)C=CC(=O)Nc2ccccc2C(=O)O |
