diethyl (4S)-4-(2-bromanyl-5-methoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (4S)-4-(2-bromanyl-5-methoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-4-(2-bromo-5-methoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(2-bromo-5-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-4-(2-bromo-5-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(2-bromo-5-methoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H24BrNO5 MolecularWeight: 438.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=C(C=CC(=C2)OC)Br

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)C)C(=O)OCC)C2=C(C=CC(=C2)OC)Br

InChI

InChI=1S/C20H24BrNO5/c1-6-26-19(23)16-11(3)22-12(4)17(20(24)27-7-2)18(16)14-10-13(25-5)8-9-15(14)21/h8-10,16,18H,6-7H2,1-5H3/t16?,18-/m0/s1