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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] quinoline-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H15NO3 MolecularWeight: 269.2952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H15NO3/c18-14-7-3-4-8-15(14)20-16(19)13-10-9-11-5-1-2-6-12(11)17-13/h1-2,5-6,9-10,15H,3-4,7-8H2/t15-/m0/s1