2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6,8-dimethyl-4-oxidanylidene-1-pyridin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6,8-dimethyl-4-oxidanylidene-1-pyridin-4-yl-quinoline-3-carboxylic acid Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methyl]-6,8-dimethyl-4-oxo-1-(4-pyridyl)quinoline-3-carboxylic acid CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methyl]-6,8-dimethyl-4-oxo-1-pyridin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)methyl]-6,8-dimethyl-4-oxo-1-pyridin-4-ylquinoline-3-carboxylic acid Traditional Name: 4-keto-6,8-dimethyl-2-(phthalimidomethyl)-1-(4-pyridyl)quinoline-3-carboxylic acid Formula: C26H19N3O5 MolecularWeight: 453.44616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=C(N2C3=CC=NC=C3)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=C(N2C3=CC=NC=C3)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)O)C

InChI

InChI=1S/C26H19N3O5/c1-14-11-15(2)22-19(12-14)23(30)21(26(33)34)20(29(22)16-7-9-27-10-8-16)13-28-24(31)17-5-3-4-6-18(17)25(28)32/h3-12H,13H2,1-2H3,(H,33,34)