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

Systemtic Name: dimethyl (4S)-4-(3-bromanyl-4,5-diethoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl (4S)-4-(3-bromo-4,5-diethoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(3-bromo-4,5-diethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-4-(3-bromo-4,5-diethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(3-bromo-4,5-diethoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H26BrNO6 MolecularWeight: 468.33824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC)Br)OCC

InChI

InChI=1S/C21H26BrNO6/c1-7-28-15-10-13(9-14(22)19(15)29-8-2)18-16(20(24)26-5)11(3)23-12(4)17(18)21(25)27-6/h9-10,16,18H,7-8H2,1-6H3/t16?,18-/m1/s1