NFI
Summary
| Name: | 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid |
| Formula: | C20 H17 N O5 |
| Formal charge: | 0 |
| Formula weight: | 351.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H17NO5/c1-12-15-11-14(7-9-17(15)26-19(12)20(24)25)21-18(23)10-8-16(22)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,21,23)(H,24,25) |
| InChIKey | InChI | 1.06 | ZXQOBDSXROLOQK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1c(oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(ccc2oc1C(=O)O)NC(=O)CCC(=O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(ccc2oc1C(=O)O)NC(=O)CCC(=O)c3ccccc3 |
