ethyl (2S,4R)-2-(cyanomethyl)-4-phenylmethoxy-pyrrolidine-1-carboxylate

Systemtic Name: ethyl (2S,4R)-2-(cyanomethyl)-4-phenylmethoxy-pyrrolidine-1-carboxylate Openeye Name: ethyl (2S,4R)-4-benzyloxy-2-(cyanomethyl)pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-(cyanomethyl)-4-phenylmethoxy-1-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4R)-2-(cyanomethyl)-4-phenylmethoxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-benzoxy-2-(cyanomethyl)pyrrolidine-1-carboxylic acid ethyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(CC1CC#N)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1C[C@@H](C[C@@H]1CC#N)OCC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3/c1-2-20-16(19)18-11-15(10-14(18)8-9-17)21-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8,10-12H2,1H3/t14-,15+/m0/s1