methyl (3S,5S)-5-cyano-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: methyl (3S,5S)-5-cyano-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: methyl (3S,5S)-1-benzyl-5-cyano-piperidine-3-carboxylate CAS Name: (3S,5S)-5-cyano-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,5S)-1-benzyl-5-cyanopiperidine-3-carboxylate Traditional Name: (3S,5S)-1-benzyl-5-cyano-nipecotic acid methyl ester Formula: C15H18N2O2 MolecularWeight: 258.31562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN(C1)CC2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)[C@H]1C[C@@H](CN(C1)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C15H18N2O2/c1-19-15(18)14-7-13(8-16)10-17(11-14)9-12-5-3-2-4-6-12/h2-6,13-14H,7,9-11H2,1H3/t13-,14+/m1/s1