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

Systemtic Name: butyl 4-(2-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H22BrFN2O3 MolecularWeight: 437.302683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)F)Br)C#N)C)COC

Isomeric SMILES

CCCCOC(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)F)Br)C#N)C)COC

InChI

InChI=1S/C20H22BrFN2O3/c1-4-5-8-27-20(25)19-17(11-26-3)24-12(2)15(10-23)18(19)14-7-6-13(22)9-16(14)21/h6-7,9,18,24H,4-5,8,11H2,1-3H3