[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 6,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-phenyl-cinchoninic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)C4=CC(=CC=C4)Cl)C

InChI

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