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

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-phthalimidophenyl)cinchoninic acid 1-benzoylpropyl ester Formula: C34H24N2O5 MolecularWeight: 540.56476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C34H24N2O5/c1-2-30(31(37)22-10-4-3-5-11-22)41-34(40)27-20-29(35-28-15-9-8-12-24(27)28)21-16-18-23(19-17-21)36-32(38)25-13-6-7-14-26(25)33(36)39/h3-20,30H,2H2,1H3