VXW
Summary
| Name: | N-[(4-methylphenyl)methyl]-3-oxobutanamide |
| Formula: | C12 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 205.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-methylphenyl)methyl]-3-oxobutanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-methylphenyl)methyl]-3-oxidanylidene-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)CC(=O)NCc1ccc(C)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H15NO2/c1-9-3-5-11(6-4-9)8-13-12(15)7-10(2)14/h3-6H,7-8H2,1-2H3,(H,13,15) |
| InChIKey | InChI | 1.06 | VEIYXUWSYZVVJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)CC(=O)NCc1ccc(C)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)CC(=O)NCc1ccc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNC(=O)CC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNC(=O)CC(=O)C |
