YC8
Summary
| Name: | 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid |
| Formula: | C16 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 284.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16N2O3/c19-15(8-4-7-12-5-2-1-3-6-12)18-14-11-17-10-9-13(14)16(20)21/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | FLWYUGQMDDTDDS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccncc1NC(=O)CCCc2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccncc1NC(=O)CCCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O |
