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

Systemtic Name: 1,2,6-trimethyl-4-(4-pyridin-3-ylphenyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 1,2,6-trimethyl-4-[4-(3-pyridyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid CAS Name: 1,2,6-trimethyl-4-[4-(3-pyridinyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 1,2,6-trimethyl-4-(4-pyridin-3-ylphenyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 1,2,6-trimethyl-4-[4-(3-pyridyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1C)C)C(=O)O)C2=CC=C(C=C2)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1C)C)C(=O)O)C2=CC=C(C=C2)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-12-17(20(24)25)19(18(21(26)27)13(2)23(12)3)15-8-6-14(7-9-15)16-5-4-10-22-11-16/h4-11,19H,1-3H3,(H,24,25)(H,26,27)