[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-phthalimidophenyl)cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C33H22N2O5 MolecularWeight: 526.53818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C33H22N2O5/c1-20-10-12-22(13-11-20)30(36)19-40-33(39)27-18-29(34-28-9-5-4-6-24(27)28)21-14-16-23(17-15-21)35-31(37)25-7-2-3-8-26(25)32(35)38/h2-18H,19H2,1H3