diethyl 4-[3-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[3-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[3-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(1-imidazolylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)CN3C=CN=C3)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)CN3C=CN=C3)C(=O)OCC)C)C

InChI

InChI=1S/C23H27N3O4/c1-5-29-22(27)19-15(3)25-16(4)20(23(28)30-6-2)21(19)18-9-7-8-17(12-18)13-26-11-10-24-14-26/h7-12,14,21,25H,5-6,13H2,1-4H3