O5-ethyl O3-methyl (3S,4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl (3S,4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl (3S,4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (3S,4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl (3S,4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (3S,4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(C1C2=CC=C(C=C2)Br)C(=O)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C([C@H]([C@@H]1C2=CC=C(C=C2)Br)C(=O)OC)C)C

InChI

InChI=1S/C18H20BrNO4/c1-5-24-18(22)15-11(3)20-10(2)14(17(21)23-4)16(15)12-6-8-13(19)9-7-12/h6-9,14,16H,5H2,1-4H3/t14-,16+/m1/s1