(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]-7-chloranyl-8-methyl-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]-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 7-chloro-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: 7-chloro-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-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 7-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-[4-(5,6-dibromo-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C34H27Br2ClN2O5 MolecularWeight: 738.84958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OC(C)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)N5C(=O)C6CC(C(CC6C5=O)Br)Br)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OC(C)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)N5C(=O)C6CC(C(CC6C5=O)Br)Br)Cl

InChI

InChI=1S/C34H27Br2ClN2O5/c1-17-28(37)13-12-22-25(34(43)44-18(2)31(40)20-6-4-3-5-7-20)16-29(38-30(17)22)19-8-10-21(11-9-19)39-32(41)23-14-26(35)27(36)15-24(23)33(39)42/h3-13,16,18,23-24,26-27H,14-15H2,1-2H3