[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C27H22BrNO4 MolecularWeight: 504.37188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H22BrNO4/c1-16-4-6-19(7-5-16)26(30)17(2)33-27(31)23-15-25(18-8-11-21(32-3)12-9-18)29-24-13-10-20(28)14-22(23)24/h4-15,17H,1-3H3