[1-oxidanylidene-1-(4-phenylmethoxyphenyl)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-(4-phenylmethoxyphenyl)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: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-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-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-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-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C41H33Br2ClN2O6 MolecularWeight: 844.97152

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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=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)N6C(=O)C7CC(C(CC7C6=O)Br)Br)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)N6C(=O)C7CC(C(CC7C6=O)Br)Br)Cl

InChI

InChI=1S/C41H33Br2ClN2O6/c1-22-35(44)17-16-29-32(41(50)52-23(2)38(47)26-10-14-28(15-11-26)51-21-24-6-4-3-5-7-24)20-36(45-37(22)29)25-8-12-27(13-9-25)46-39(48)30-18-33(42)34(43)19-31(30)40(46)49/h3-17,20,23,30-31,33-34H,18-19,21H2,1-2H3