propyl 5-cyano-4-[4-fluoranyl-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propyl 5-cyano-4-[4-fluoranyl-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: propyl 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid propyl ester IUPAC Name: propyl 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid propyl ester Formula: C21H22F4N2O2 MolecularWeight: 410.405193

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)C(F)(F)F)C(=O)OCCC

Isomeric SMILES

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)C(F)(F)F)C(=O)OCCC

InChI

InChI=1S/C21H22F4N2O2/c1-4-6-17-19(20(28)29-9-5-2)18(15(11-26)12(3)27-17)14-8-7-13(22)10-16(14)21(23,24)25/h7-8,10,18,27H,4-6,9H2,1-3H3