O3-methyl O5-(phenylmethyl) 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-(phenylmethyl) 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-methyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-methyl 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-benzyl ester O3-methyl ester Formula: C23H22BrNO4 MolecularWeight: 456.32908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C23H22BrNO4/c1-14-19(22(26)28-3)21(17-9-11-18(24)12-10-17)20(15(2)25-14)23(27)29-13-16-7-5-4-6-8-16/h4-12,21,25H,13H2,1-3H3