A1JEC
Summary
| Name: | 5-(butylcarbamoylamino)-2-oxidanyl-benzoic acid |
| Formula: | C12 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 252.266 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(butylcarbamoylamino)-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H16N2O4/c1-2-3-6-13-12(18)14-8-4-5-10(15)9(7-8)11(16)17/h4-5,7,15H,2-3,6H2,1H3,(H,16,17)(H2,13,14,18) |
| InChIKey | InChI | 1.06 | RWKWKMQNLHLVPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNC(=O)Nc1ccc(O)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCNC(=O)Nc1ccc(O)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)Nc1ccc(c(c1)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)Nc1ccc(c(c1)C(=O)O)O |
