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

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylic acid Traditional Name: 8-methyl-2-(4-phthalimidophenyl)cinchoninic acid Formula: C25H16N2O4 MolecularWeight: 408.40554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H16N2O4/c1-14-5-4-8-17-20(25(30)31)13-21(26-22(14)17)15-9-11-16(12-10-15)27-23(28)18-6-2-3-7-19(18)24(27)29/h2-13H,1H3,(H,30,31)