C3W
Summary
| Name: | 4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid |
| Formula: | C12 H12 F N O4 |
| Formal charge: | 0 |
| Formula weight: | 253.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12FNO4/c1-14(11(16)6-10(15)12(17)18)7-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | NPHNLROPKUDMST-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccc(F)cc1)C(=O)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(Cc1ccc(F)cc1)C(=O)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O |
