[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3,6-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3,6-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 3,6-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 3,6-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-phenyl-cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C26H20ClNO3 MolecularWeight: 429.8949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20ClNO3/c1-16-8-13-22-21(14-16)24(17(2)25(28-22)19-6-4-3-5-7-19)26(30)31-15-23(29)18-9-11-20(27)12-10-18/h3-14H,15H2,1-2H3