[2-[4-(2-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(2-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-[(2-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-o-toluoyloxyphenyl)ethyl] ester Formula: C33H24BrNO5 MolecularWeight: 594.45136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5C

InChI

InChI=1S/C33H24BrNO5/c1-20-7-9-22(10-8-20)30-18-28(27-17-24(34)13-16-29(27)35-30)32(37)39-19-31(36)23-11-14-25(15-12-23)40-33(38)26-6-4-3-5-21(26)2/h3-18H,19H2,1-2H3