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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)Cl)C)C(=O)OC(C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)Cl)C)C(=O)OC(C)C(=O)C4=CC=CC=C4

InChI

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