[4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 7-chloranyl-8-methyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 7-chloranyl-8-methyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-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] 7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 7-chloro-2-[4-(1,3-diketo-4-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C36H29Cl3N2O5 MolecularWeight: 675.98486

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=CC(=C5C)Cl)C(=C4)C(=O)OC(CCCl)C(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=CC(=C5C)Cl)C(=C4)C(=O)OC(CCCl)C(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C36H29Cl3N2O5/c1-19-4-3-5-26-31(19)35(44)41(34(26)43)24-12-8-21(9-13-24)29-18-27(25-14-15-28(39)20(2)32(25)40-29)36(45)46-30(16-17-37)33(42)22-6-10-23(38)11-7-22/h3-4,6-15,18-19,26,30-31H,5,16-17H2,1-2H3