2-methylpropyl 4-(2-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-methylpropyl 4-(2-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: isobutyl 4-(2-bromo-4-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(2-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-bromo-4-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid isobutyl ester Formula: C20H22BrFN2O3 MolecularWeight: 437.302683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COC)C(=O)OCC(C)C)C2=C(C=C(C=C2)F)Br)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)COC)C(=O)OCC(C)C)C2=C(C=C(C=C2)F)Br)C#N

InChI

InChI=1S/C20H22BrFN2O3/c1-11(2)9-27-20(25)19-17(10-26-4)24-12(3)15(8-23)18(19)14-6-5-13(22)7-16(14)21/h5-7,11,18,24H,9-10H2,1-4H3