[(1S)-2-oxidanylidenecyclohexyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [(1S)-2-ketocyclohexyl] ester Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4CCCCC4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O[C@H]4CCCCC4=O)OC

InChI

InChI=1S/C24H23NO5/c1-28-22-12-11-15(13-23(22)29-2)19-14-17(16-7-3-4-8-18(16)25-19)24(27)30-21-10-6-5-9-20(21)26/h3-4,7-8,11-14,21H,5-6,9-10H2,1-2H3/t21-/m0/s1