[4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 6-chloranyl-2-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 6-chloranyl-2-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 6-chloro-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-chloro-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] 6-chloro-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-chloro-2-[4-(1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C35H29Cl3N2O5 MolecularWeight: 663.97416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)OC(CCCl)C(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)OC(CCCl)C(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C35H29Cl3N2O5/c1-19-2-12-25-27(16-19)34(43)40(33(25)42)24-10-5-20(6-11-24)30-18-28(26-17-23(38)9-13-29(26)39-30)35(44)45-31(14-15-36)32(41)21-3-7-22(37)8-4-21/h3-11,13,17-19,25,27,31H,2,12,14-16H2,1H3