[(2S)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [(1S)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [(1S)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H20ClNO3 MolecularWeight: 429.8949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OC(C)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O[C@@H](C)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H20ClNO3/c1-16-23(26(30)31-17(2)25(29)19-12-14-20(27)15-13-19)21-10-6-7-11-22(21)28-24(16)18-8-4-3-5-9-18/h3-15,17H,1-2H3/t17-/m0/s1