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

Systemtic Name: dimethyl (4S)-4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl (4S)-4-(3-bromo-5-methoxy-4-propoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(3-bromo-5-methoxy-4-propoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-4-(3-bromo-5-methoxy-4-propoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(3-bromo-5-methoxy-4-propoxy-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:

CCCOC1=C(C=C(C=C1Br)C2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)[C@@H]2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC)OC

InChI

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