[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)-8-chloranyl-quinoline-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)-8-chloranyl-quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(4-bromophenyl)-8-chloro-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-8-chloro-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-bromophenyl)-8-chloroquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-8-chloro-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=CC=C3Cl)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=C(C=C4)Br

InChI

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