(1-oxidanylidene-1-phenyl-butan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-methyl-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-methyl-quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-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-methylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(4-phthalimidophenyl)cinchoninic acid 1-benzoylpropyl ester Formula: C35H25BrN2O5 MolecularWeight: 633.4874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)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=C(C=C(C=C23)Br)C)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C35H25BrN2O5/c1-3-30(32(39)22-9-5-4-6-10-22)43-35(42)28-19-29(37-31-20(2)17-23(36)18-27(28)31)21-13-15-24(16-14-21)38-33(40)25-11-7-8-12-26(25)34(38)41/h4-19,30H,3H2,1-2H3