[2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-7,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-7,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-7,8-dimethyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C35H28BrNO5 MolecularWeight: 622.50452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C)Br)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C)Br)C)C

InChI

InChI=1S/C35H28BrNO5/c1-20-5-9-24(10-6-20)31-18-29(28-17-30(36)22(3)23(4)33(28)37-31)35(40)41-19-32(38)25-13-15-27(16-14-25)42-34(39)26-11-7-21(2)8-12-26/h5-18H,19H2,1-4H3