5-cyano-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-cyano-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-cyano-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-cyano-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-cyano-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-cyano-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C16H13F3N2O2 MolecularWeight: 322.28183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C16H13F3N2O2/c1-8-12(7-20)14(13(15(22)23)9(2)21-8)10-4-3-5-11(6-10)16(17,18)19/h3-6,14,21H,1-2H3,(H,22,23)