methyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-3-ethanoyl-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: methyl (4S)-4-(5-bromanyl-2-methoxy-phenyl)-3-ethanoyl-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate Openeye Name: methyl (4S)-3-acetyl-4-(5-bromo-2-methoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-3-acetyl-4-(5-bromo-2-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-3-acetyl-4-(5-bromo-2-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-3-acetyl-4-(5-bromo-2-methoxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylic acid methyl ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=C(C=CC(=C2)Br)OC)C(=O)OC)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=C(C=CC(=C2)Br)OC)C(=O)OC)C

InChI

InChI=1S/C18H20BrNO4/c1-9-15(11(3)21)17(16(10(2)20-9)18(22)24-5)13-8-12(19)6-7-14(13)23-4/h6-8,15,17H,1-5H3/t15?,17-/m1/s1