1-ethyl-2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 1-ethyl-2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 1-ethyl-2,6-dimethyl-4-[3-(3-pyridyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid CAS Name: 1-ethyl-2,6-dimethyl-4-[3-(3-pyridinyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 1-ethyl-2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 1-ethyl-2,6-dimethyl-4-[3-(3-pyridyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(C(=C1C)C(=O)O)C2=CC=CC(=C2)C3=CN=CC=C3)C(=O)O)C

Isomeric SMILES

CCN1C(=C(C(C(=C1C)C(=O)O)C2=CC=CC(=C2)C3=CN=CC=C3)C(=O)O)C

InChI

InChI=1S/C22H22N2O4/c1-4-24-13(2)18(21(25)26)20(19(14(24)3)22(27)28)16-8-5-7-15(11-16)17-9-6-10-23-12-17/h5-12,20H,4H2,1-3H3,(H,25,26)(H,27,28)