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

Systemtic Name: 4-[3-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[3-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[3-(1-imidazolylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[3-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[3-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)CN3C=CN=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)CN3C=CN=C3)C(=O)O

InChI

InChI=1S/C19H19N3O4/c1-11-15(18(23)24)17(16(19(25)26)12(2)21-11)14-5-3-4-13(8-14)9-22-7-6-20-10-22/h3-8,10,17,21H,9H2,1-2H3,(H,23,24)(H,25,26)