(3R,4S)-4-methoxy-1-(phenylmethyl)pyrrolidine-3-carbonitrile

Systemtic Name: (3R,4S)-4-methoxy-1-(phenylmethyl)pyrrolidine-3-carbonitrile Openeye Name: (3R,4S)-1-benzyl-4-methoxy-pyrrolidine-3-carbonitrile CAS Name: (3R,4S)-4-methoxy-1-(phenylmethyl)-3-pyrrolidinecarbonitrile IUPAC Name: (3R,4S)-1-benzyl-4-methoxypyrrolidine-3-carbonitrile Traditional Name: (3R,4S)-1-benzyl-4-methoxy-pyrrolidine-3-carbonitrile Formula: C13H16N2O MolecularWeight: 216.27894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC1C#N)CC2=CC=CC=C2

Isomeric SMILES

CO[C@@H]1CN(C[C@@H]1C#N)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O/c1-16-13-10-15(9-12(13)7-14)8-11-5-3-2-4-6-11/h2-6,12-13H,8-10H2,1H3/t12-,13+/m0/s1