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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 6-bromo-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 6-bromo-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-4-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C35H29BrN2O5 MolecularWeight: 637.51916

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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=C(C=C5C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)C)Br)C

Isomeric SMILES

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)C)Br)C

InChI

InChI=1S/C35H29BrN2O5/c1-19-7-9-23(10-8-19)30(39)18-43-35(42)28-17-29(37-32-21(3)15-24(36)16-27(28)32)22-11-13-25(14-12-22)38-33(40)26-6-4-5-20(2)31(26)34(38)41/h4-5,7-17,20,26,31H,6,18H2,1-3H3