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

Systemtic Name: phenacyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: phenacyl 2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-phthalimidophenyl)cinchoninic acid phenacyl ester Formula: C32H20N2O5 MolecularWeight: 512.5116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C32H20N2O5/c35-29(21-8-2-1-3-9-21)19-39-32(38)26-18-28(33-27-13-7-6-10-23(26)27)20-14-16-22(17-15-20)34-30(36)24-11-4-5-12-25(24)31(34)37/h1-18H,19H2