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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)O)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)O)C4=CN=CC=C4)C(=O)O

InChI

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