(phenylmethyl) (4S)-4-cyano-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

Systemtic Name: (phenylmethyl) (4S)-4-cyano-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate Openeye Name: benzyl (4S)-4-cyano-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate CAS Name: (4S)-4-cyano-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-cyano-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate Traditional Name: (4S)-4-cyano-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid benzyl ester Formula: C16H18N2O2 MolecularWeight: 270.32632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)OCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1(C2C1[C@H](N(C2)C(=O)OCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C16H18N2O2/c1-16(2)12-9-18(13(8-17)14(12)16)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-14H,9-10H2,1-2H3/t12?,13-,14?/m1/s1