WJC
Summary
| Name: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid |
| Formula: | C21 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 333.38 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H19NO3/c1-15-10-11-20(19(12-15)21(23)24)22-17-8-5-9-18(13-17)25-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,23,24) |
| InChIKey | InChI | 1.06 | WDRAJWHANCQFDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C(=O)O)Nc2cccc(c2)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C(=O)O)Nc2cccc(c2)OCc3ccccc3 |
