[(1R)-1-cyanoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(1R)-1-cyanoethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3/c1-12(11-17)22-15(20)13-7-9-19(10-8-13)16(21)18-14-5-3-2-4-6-14/h2-6,12-13H,7-10H2,1H3,(H,18,21)/t12-/m1/s1