2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6-methyl-1-pyridin-4-yl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6-methyl-1-pyridin-4-yl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methyl]-6-methyl-1-(4-pyridyl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methyl]-6-methyl-1-pyridin-4-yl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)methyl]-6-methyl-1-pyridin-4-yl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-6-(phthalimidomethyl)-1-(4-pyridyl)-4H-pyridine-3,5-dicarboxylic acid Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(N1C2=CC=NC=C2)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(CC(=C(N1C2=CC=NC=C2)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H17N3O6/c1-12-16(21(28)29)10-17(22(30)31)18(25(12)13-6-8-23-9-7-13)11-24-19(26)14-4-2-3-5-15(14)20(24)27/h2-9H,10-11H2,1H3,(H,28,29)(H,30,31)