HRR
Summary
| Name: | 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid |
| Formula: | C17 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 312.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(2-cyclopropylphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2O4/c20-16(21)13-7-14(17(22)23)19-9-15(13)18-8-11-3-1-2-4-12(11)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,20,21)(H,22,23) |
| InChIKey | InChI | 1.03 | JUYCLGIITHNPEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)cn1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3 |
