[(1S)-2-oxidanylidenecyclohexyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H18ClNO3 MolecularWeight: 379.83622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClNO3/c23-15-11-9-14(10-12-15)19-13-17(16-5-1-2-6-18(16)24-19)22(26)27-21-8-4-3-7-20(21)25/h1-2,5-6,9-13,21H,3-4,7-8H2/t21-/m0/s1