(1-oxidanylidene-1-phenyl-butan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-ethyl-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(4-phthalimidophenyl)cinchoninic acid 1-benzoylpropyl ester Formula: C36H27BrN2O5 MolecularWeight: 647.51398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OC(CC)C(=O)C6=CC=CC=C6

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OC(CC)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C36H27BrN2O5/c1-3-21-18-24(37)19-28-29(36(43)44-31(4-2)33(40)23-10-6-5-7-11-23)20-30(38-32(21)28)22-14-16-25(17-15-22)39-34(41)26-12-8-9-13-27(26)35(39)42/h5-20,31H,3-4H2,1-2H3