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

Systemtic Name: 3,3-dimethylbutyl 5-cyano-4-[4-fluoranyl-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 3,3-dimethylbutyl 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 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 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 3,3-dimethylbutyl ester Formula: C24H28F4N2O2 MolecularWeight: 452.484933

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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(C)(C)C

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(C)(C)C

InChI

InChI=1S/C24H28F4N2O2/c1-6-7-19-21(22(31)32-11-10-23(3,4)5)20(17(13-29)14(2)30-19)16-9-8-15(25)12-18(16)24(26,27)28/h8-9,12,20,30H,6-7,10-11H2,1-5H3