[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-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-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C39H29BrN2O5 MolecularWeight: 685.56196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O)C(=O)OCC(=O)C6=CC=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O)C(=O)OCC(=O)C6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H29BrN2O5/c1-23-19-28(40)20-32-33(39(46)47-22-35(43)27-13-11-25(12-14-27)24-7-3-2-4-8-24)21-34(41-36(23)32)26-15-17-29(18-16-26)42-37(44)30-9-5-6-10-31(30)38(42)45/h2-8,11-21,30-31H,9-10,22H2,1H3