| PDB CCD ID: | C8U |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C16 H15 F3 N2 O4 |
| InChI: | InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m0/s1 |
| InChIKey: | ZFLWDHHVRRZMEI-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N](=O)=O)C | | CACTVS 3.385 | COC(=O)C1=C(C)NC(=C([C@H]1c2ccccc2C(F)(F)F)[N](=O)=O)C | | OpenEye OEToolkits 2.0.6 | CC1=C(C(C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC | | OpenEye OEToolkits 2.0.6 | CC1=C([C@@H](C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC |
|
| Name: | methyl (4~{S})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate |
| ChEMBL: | CHEMBL513599 |
| ZINC: | ZINC000100001883 |
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