[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 7-chloro-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 7-chloro-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(4-phthalimidophenyl)cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C34H23ClN2O5 MolecularWeight: 575.00982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)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=C2C=CC(=C3C)Cl)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C34H23ClN2O5/c1-19-7-9-22(10-8-19)30(38)18-42-34(41)27-17-29(36-31-20(2)28(35)16-15-24(27)31)21-11-13-23(14-12-21)37-32(39)25-5-3-4-6-26(25)33(37)40/h3-17H,18H2,1-2H3