5V1
Summary
| Name: | 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid |
| Formula: | C14 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c17-14(18)12-6-7-16-13(8-12)10-15-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,17,18) |
| InChIKey | InChI | 1.03 | IBSVWTKUXPGZFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc(CNCc2ccccc2)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccnc(CNCc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CNCc2cc(ccn2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CNCc2cc(ccn2)C(=O)O |
