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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OC(C)C(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OC(C)C(=O)C6=CC=CC=C6

InChI

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