D5H
Summary
| Name: | 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid |
| Synonyms: | Vidofludimus, 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid |
| Formula: | C20 H18 F N O4 |
| Formal charge: | 0 |
| Formula weight: | 355.36 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25) |
| InChIKey | InChI | 1.03 | XPRDUGXOWVXZLL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O |
