[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-methyl-2-(p-tolyl)cinchoninic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OC(C)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OC(C)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H22ClNO3/c1-16-7-9-19(10-8-16)24-15-23(22-6-4-5-17(2)25(22)29-24)27(31)32-18(3)26(30)20-11-13-21(28)14-12-20/h4-15,18H,1-3H3