(3S)-1-(2-cyanophenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(2-cyanophenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-cyanophenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-cyanophenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-cyanophenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-cyanophenyl)nipecotate Formula: C13H13N2O2- MolecularWeight: 229.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC=C2C#N)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC=C2C#N)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c14-8-10-4-1-2-6-12(10)15-7-3-5-11(9-15)13(16)17/h1-2,4,6,11H,3,5,7,9H2,(H,16,17)/p-1/t11-/m0/s1