[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(4-chlorophenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-6-methyl-4-quinolinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-6-methyl-cinchoninic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)Cl

InChI

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