7Z5
Summary
| Name: | 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid |
| Formula: | C17 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 313.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCC(=O)Nc1ccc(cc1C(O)=O)N(C)Cc2cccnc2 |
| SMILES | CACTVS | 3.352 | CCC(=O)Nc1ccc(cc1C(O)=O)N(C)Cc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3O3/c1-3-16(21)19-15-7-6-13(9-14(15)17(22)23)20(2)11-12-5-4-8-18-10-12/h4-10H,3,11H2,1-2H3,(H,19,21)(H,22,23) |
| InChIKey | InChI | 1.03 | GXDVHWJUYDHZKB-UHFFFAOYSA-N |
