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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C26H19BrClNO3 MolecularWeight: 508.79096

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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)Cl

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)Cl

InChI

InChI=1S/C26H19BrClNO3/c1-15-3-5-18(6-4-15)25(30)16(2)32-26(31)22-14-24(17-7-10-20(28)11-8-17)29-23-12-9-19(27)13-21(22)23/h3-14,16H,1-2H3