S1G
Summary
| Name: | 4-[(phenylmethyl)amino]benzoic acid |
| Formula: | C14 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 227.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[(phenylmethyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17) |
| InChIKey | InChI | 1.03 | NYNAMTQEBMCHNG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(NCc2ccccc2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(NCc2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNc2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNc2ccc(cc2)C(=O)O |
