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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3)C

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/h4-12,19,21H,13H2,1-3H3/t19?,21-/m1/s1