[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C)C

InChI

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