[2-oxidanylidene-2-(4-phenylphenyl)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-oxidanylidene-2-(4-phenylphenyl)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-oxo-2-(4-phenylphenyl)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-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 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-keto-2-(4-phenylphenyl)ethyl] ester Formula: C39H30BrClN2O5 MolecularWeight: 722.0229

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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=CC=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H30BrClN2O5/c1-22-35(41)32(40)19-30-31(39(47)48-21-34(44)26-13-11-24(12-14-26)23-7-3-2-4-8-23)20-33(42-36(22)30)25-15-17-27(18-16-25)43-37(45)28-9-5-6-10-29(28)38(43)46/h2-4,7-8,11-20,28-29H,5-6,9-10,21H2,1H3