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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(N1C2=CC=NC=C2)COC(=O)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(CC(=C(N1C2=CC=NC=C2)COC(=O)C)C(=O)O)C(=O)O

InChI

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