HR3
Summary
| Name: | 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid |
| Formula: | C15 H14 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 302.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(4-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O5/c1-22-10-4-2-9(3-5-10)7-16-13-8-17-12(15(20)21)6-11(13)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | FRXQENHLNWKEGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O |
