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

Systemtic Name: propyl 4-(2-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-(2-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: propyl 4-(2-bromo-4-fluoro-phenyl)-5-cyano-2-(2-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-bromo-4-fluorophenyl)-5-cyano-2-(2-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid propyl ester IUPAC Name: propyl 4-(2-bromo-4-fluorophenyl)-5-cyano-2-(2-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-bromo-4-fluoro-phenyl)-5-cyano-2-(2-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid propyl ester Formula: C21H24BrFN2O3 MolecularWeight: 451.329263

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)F)Br)C#N)C)CC(C)OC

Isomeric SMILES

CCCOC(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)F)Br)C#N)C)CC(C)OC

InChI

InChI=1S/C21H24BrFN2O3/c1-5-8-28-21(26)20-18(9-12(2)27-4)25-13(3)16(11-24)19(20)15-7-6-14(23)10-17(15)22/h6-7,10,12,19,25H,5,8-9H2,1-4H3