1X5
Summary
| Name: | 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid |
| Formula: | C18 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 325.362 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-(cyclopropylcarbonylamino)-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(Cc1cccnc1)c2ccc(NC(=O)C3CC3)c(c2)C(O)=O |
| SMILES | CACTVS | 3.352 | CN(Cc1cccnc1)c2ccc(NC(=O)C3CC3)c(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3 |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3O3/c1-21(11-12-3-2-8-19-10-12)14-6-7-16(15(9-14)18(23)24)20-17(22)13-4-5-13/h2-3,6-10,13H,4-5,11H2,1H3,(H,20,22)(H,23,24) |
| InChIKey | InChI | 1.03 | XLLCMCCHDIWDPC-UHFFFAOYSA-N |
