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

Systemtic Name: phenacyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C34H23BrN2O5 MolecularWeight: 619.46082

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)OCC(=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)OCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H23BrN2O5/c1-2-20-16-23(35)17-27-28(34(41)42-19-30(38)22-8-4-3-5-9-22)18-29(36-31(20)27)21-12-14-24(15-13-21)37-32(39)25-10-6-7-11-26(25)33(37)40/h3-18H,2,19H2,1H3