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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 8-chloranyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 8-chloro-2-phenyl-quinoline-4-carboxylate CAS Name: 8-chloro-2-phenyl-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 8-chloro-2-phenylquinoline-4-carboxylate Traditional Name: 8-chloro-2-phenyl-cinchoninic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C26H20ClNO3 MolecularWeight: 429.8949

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H20ClNO3/c1-16-11-13-19(14-12-16)25(29)17(2)31-26(30)21-15-23(18-7-4-3-5-8-18)28-24-20(21)9-6-10-22(24)27/h3-15,17H,1-2H3