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

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-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) 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-phthalimidophenyl)cinchoninic acid 1-benzoylpropyl ester Formula: C34H23BrN2O5 MolecularWeight: 619.46082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)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=C2C=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

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