Obsolete: 3JI
Summary
| Name: | 3-(4-PHENYLBUTANAMIDO)PYRIDINE-4-CARBOXYLIC ACID |
| Formula: | C16 H17 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 301.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-oxidanyl-3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17N2O4/c19-15(8-4-7-12-5-2-1-3-6-12)17-14-11-18(22)10-9-13(14)16(20)21/h1-3,5-6,9-11,22H,4,7-8H2,(H,17,19)(H,20,21) |
| InChIKey | InChI | 1.03 | OIKBSJUYAZAFGJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc[n](O)cc1NC(=O)CCCc2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc[n](O)cc1NC(=O)CCCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O |
