methyl (4S)-4-(4-bromophenyl)-2,6-dimethyl-3-propanoyl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: methyl (4S)-4-(4-bromophenyl)-2,6-dimethyl-3-propanoyl-3,4-dihydropyridine-5-carboxylate Openeye Name: methyl (4S)-4-(4-bromophenyl)-2,6-dimethyl-3-propanoyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-2,6-dimethyl-3-(1-oxopropyl)-3,4-dihydropyridine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-bromophenyl)-2,6-dimethyl-3-propanoyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-4-(4-bromophenyl)-2,6-dimethyl-3-propionyl-3,4-dihydropyridine-5-carboxylic acid methyl ester Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(C(=C(N=C1C)C)C(=O)OC)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3/c1-5-14(21)15-10(2)20-11(3)16(18(22)23-4)17(15)12-6-8-13(19)9-7-12/h6-9,15,17H,5H2,1-4H3/t15?,17-/m1/s1