[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-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: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-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: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 6-bromo-7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 6-bromo-7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-2-[4-(1,3-diketo-4-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C36H30BrClN2O5 MolecularWeight: 685.9908

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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)C)Br)Cl)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)C)Br)Cl)C

InChI

InChI=1S/C36H30BrClN2O5/c1-18-8-9-23(14-20(18)3)30(41)17-45-36(44)27-16-29(39-33-21(4)32(38)28(37)15-26(27)33)22-10-12-24(13-11-22)40-34(42)25-7-5-6-19(2)31(25)35(40)43/h5-6,8-16,19,25,31H,7,17H2,1-4H3