cyanomethyl (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: cyanomethyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: cyanomethyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid cyanomethyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC#N)C1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC#N)C1=CC=CC=C1

InChI

InChI=1S/C13H14N2O3/c1-10(16)15-12(9-13(17)18-8-7-14)11-5-3-2-4-6-11/h2-6,12H,8-9H2,1H3,(H,15,16)/t12-/m1/s1