ID8
Summary
| Name: | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID |
| Synonyms: | MEFENAMIC ACID |
| Formula: | C15 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 241.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(2,3-dimethylphenyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.6.1 | 2-[(2,3-dimethylphenyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2c(Nc1cccc(c1C)C)cccc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1cccc(Nc2ccccc2C(O)=O)c1C |
| SMILES | CACTVS | 3.352 | Cc1cccc(Nc2ccccc2C(O)=O)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1cccc(c1C)Nc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | Cc1cccc(c1C)Nc2ccccc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.03 | HYYBABOKPJLUIN-UHFFFAOYSA-N |
