2-(acetyloxymethyl)-6-methyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(acetyloxymethyl)-6-methyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(acetoxymethyl)-6-methyl-4-(2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(acetyloxymethyl)-6-methyl-4-(2-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(acetyloxymethyl)-6-methyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(acetoxymethyl)-6-methyl-4-(2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COC(=O)C)C(=O)O)C2=CC=CC=N2)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)COC(=O)C)C(=O)O)C2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C16H16N2O6/c1-8-12(15(20)21)13(10-5-3-4-6-17-10)14(16(22)23)11(18-8)7-24-9(2)19/h3-6,13,18H,7H2,1-2H3,(H,20,21)(H,22,23)