[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C25H17Cl2NO3 MolecularWeight: 450.31338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17Cl2NO3/c1-15-6-8-16(9-7-15)23-13-20(18-4-2-3-5-22(18)28-23)25(30)31-14-24(29)19-11-10-17(26)12-21(19)27/h2-13H,14H2,1H3