AV4
Summary
| Name: | 3-[3-(dimethylamino)phenyl]benzoic acid |
| Formula: | C15 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 241.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[3-(dimethylamino)phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H15NO2/c1-16(2)14-8-4-6-12(10-14)11-5-3-7-13(9-11)15(17)18/h3-10H,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.03 | IGKUVSHRCBIVKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C)c1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)c1cccc(c1)c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)c1cccc(c1)c2cccc(c2)C(=O)O |
