A1JFE
Summary
| Name: | 2-oxidanyl-5-(pentanoylamino)benzoic acid |
| Formula: | C12 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 237.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanyl-5-(pentanoylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H15NO4/c1-2-3-4-11(15)13-8-5-6-10(14)9(7-8)12(16)17/h5-7,14H,2-4H2,1H3,(H,13,15)(H,16,17) |
| InChIKey | InChI | 1.06 | INYMOBCCKQWGEY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(=O)Nc1ccc(O)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC(=O)Nc1ccc(O)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC(=O)Nc1ccc(c(c1)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(=O)Nc1ccc(c(c1)C(=O)O)O |
