7-[2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6-methyl-pyridin-4-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6-methyl-pyridin-4-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[2-[(1,3-dioxoisoindolin-2-yl)methyl]-6-methyl-4-pyridyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[2-[(1,3-dioxo-2-isoindolyl)methyl]-6-methyl-4-pyridinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[2-[(1,3-dioxoisoindol-2-yl)methyl]-6-methylpyridin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methyl-7-[2-methyl-6-(phthalimidomethyl)-4-pyridyl]quinoline-3-carboxylic acid Formula: C29H23N3O5 MolecularWeight: 493.51002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=NC(=CC(=C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H23N3O5/c1-15-11-17(12-18(30-15)13-32-27(34)21-5-3-4-6-22(21)28(32)35)20-9-10-23-25(16(20)2)31(19-7-8-19)14-24(26(23)33)29(36)37/h3-6,9-12,14,19H,7-8,13H2,1-2H3,(H,36,37)