A1EFV
Summary
| Name: | 2-[4-(diethylamino)-2-oxidanyl-phenyl]carbonylbenzoic acid |
| Formula: | C18 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 313.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(diethylamino)-2-oxidanyl-phenyl]carbonylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23) |
| InChIKey | InChI | 1.06 | FQNKTJPBXAZUGC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1ccc(c(O)c1)C(=O)c2ccccc2C(O)=O |
| SMILES | CACTVS | 3.385 | CCN(CC)c1ccc(c(O)c1)C(=O)c2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc(c(c1)O)C(=O)c2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc(c(c1)O)C(=O)c2ccccc2C(=O)O |
