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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 6-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 6-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-ethyl-3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 6-ethyl-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-ethyl-3-methyl-2-phenyl-cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=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/C27H22ClNO3/c1-3-18-9-14-23-22(15-18)25(17(2)26(29-23)20-7-5-4-6-8-20)27(31)32-16-24(30)19-10-12-21(28)13-11-19/h4-15H,3,16H2,1-2H3