A1JLM
Summary
| Name: | 2-oxidanyl-5-(2-phenylethylcarbamoylamino)benzoic acid |
| Formula: | C16 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 300.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanyl-5-(2-phenylethylcarbamoylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16N2O4/c19-14-7-6-12(10-13(14)15(20)21)18-16(22)17-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,20,21)(H2,17,18,22) |
| InChIKey | InChI | 1.06 | IXLOJWKZLRJEEN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(NC(=O)NCCc2ccccc2)ccc1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(NC(=O)NCCc2ccccc2)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC(=O)Nc2ccc(c(c2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCNC(=O)Nc2ccc(c(c2)C(=O)O)O |
