4-(2-fluoranyl-3-pyridin-3-yl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-fluoranyl-3-pyridin-3-yl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-fluoro-3-(3-pyridyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[2-fluoro-3-(3-pyridinyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-fluoro-3-pyridin-3-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-fluoro-3-(3-pyridyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C20H17FN2O4 MolecularWeight: 368.358383

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(=C2F)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC(=C2F)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C20H17FN2O4/c1-10-15(19(24)25)17(16(20(26)27)11(2)23-10)14-7-3-6-13(18(14)21)12-5-4-8-22-9-12/h3-9,17,23H,1-2H3,(H,24,25)(H,26,27)