[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O4/c1-27-21(26)19(16-5-3-2-4-6-16)28-20(25)17-9-11-24(12-10-17)18-8-7-15(13-22)14-23-18/h2-8,14,17,19H,9-12H2,1H3/t19-/m1/s1