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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 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-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-phthalimidophenyl)cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C33H21BrN2O5 MolecularWeight: 605.43424

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C33H21BrN2O5/c1-19(30(37)21-7-3-2-4-8-21)41-33(40)27-18-29(35-28-16-13-22(34)17-26(27)28)20-11-14-23(15-12-20)36-31(38)24-9-5-6-10-25(24)32(36)39/h2-19H,1H3