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

Systemtic Name: 4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid CAS Name: 4-[3-(1-imidazolyl)phenyl]-2,6-dimethylpyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3-imidazol-1-ylphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid Traditional Name: 4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-dinicotinic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)N3C=CN=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)N3C=CN=C3)C(=O)O

InChI

InChI=1S/C18H15N3O4/c1-10-14(17(22)23)16(15(18(24)25)11(2)20-10)12-4-3-5-13(8-12)21-7-6-19-9-21/h3-9H,1-2H3,(H,22,23)(H,24,25)