[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 7-chloro-8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(p-tolyl)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)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClNO3/c1-16-4-8-19(9-5-16)24-14-22(21-12-13-23(28)18(3)26(21)29-24)27(31)32-15-25(30)20-10-6-17(2)7-11-20/h4-14H,15H2,1-3H3