4-(2-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[2-(1-imidazolyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2N3C=CN=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2N3C=CN=C3)C(=O)O

InChI

InChI=1S/C18H17N3O4/c1-10-14(17(22)23)16(15(18(24)25)11(2)20-10)12-5-3-4-6-13(12)21-8-7-19-9-21/h3-9,16,20H,1-2H3,(H,22,23)(H,24,25)