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

Systemtic Name: 3,3-dimethylbutyl 5-cyano-4-(4-fluoranyl-2-methoxy-phenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 3,3-dimethylbutyl 5-cyano-4-(4-fluoro-2-methoxy-phenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-fluoro-2-methoxyphenyl)-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-methoxyphenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-fluoro-2-methoxy-phenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid 3,3-dimethylbutyl ester Formula: C24H31FN2O3 MolecularWeight: 414.512943

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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)OC)C(=O)OCCC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN2O3/c1-7-8-19-22(23(28)30-12-11-24(3,4)5)21(18(14-26)15(2)27-19)17-10-9-16(25)13-20(17)29-6/h9-10,13,21,27H,7-8,11-12H2,1-6H3