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

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 6-bromo-7-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-4-quinolinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 6-bromo-7-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C33H24BrCl3N2O5 MolecularWeight: 714.81706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C33H24BrCl3N2O5/c1-16-29(37)25(34)13-23-24(33(43)44-15-28(40)22-11-8-18(35)12-26(22)36)14-27(38-30(16)23)17-6-9-19(10-7-17)39-31(41)20-4-2-3-5-21(20)32(39)42/h6-14,20-21H,2-5,15H2,1H3