(1-oxidanylidene-1-phenyl-propan-2-yl) 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 6-bromo-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-bromo-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(5,6-dibromo-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C33H25Br3N2O5 MolecularWeight: 769.274

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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)C6CC(C(CC6C5=O)Br)Br

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)C6CC(C(CC6C5=O)Br)Br

InChI

InChI=1S/C33H25Br3N2O5/c1-17(30(39)19-5-3-2-4-6-19)43-33(42)25-16-29(37-28-12-9-20(34)13-22(25)28)18-7-10-21(11-8-18)38-31(40)23-14-26(35)27(36)15-24(23)32(38)41/h2-13,16-17,23-24,26-27H,14-15H2,1H3