(1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-8-methyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-8-methyl-quinoline-4-carboxylate Openeye Name: 1-benzoylbutyl 2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 2-[4-(5,6-dibromo-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid 1-benzoylbutyl ester Formula: C36H32Br2N2O5 MolecularWeight: 732.45768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)N5C(=O)C6CC(C(CC6C5=O)Br)Br

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)N5C(=O)C6CC(C(CC6C5=O)Br)Br

InChI

InChI=1S/C36H32Br2N2O5/c1-3-8-31(33(41)22-10-5-4-6-11-22)45-36(44)27-19-30(39-32-20(2)9-7-12-24(27)32)21-13-15-23(16-14-21)40-34(42)25-17-28(37)29(38)18-26(25)35(40)43/h4-7,9-16,19,25-26,28-29,31H,3,8,17-18H2,1-2H3