2-cyanopropan-2-yl 3-phenylpropanoate

Systemtic Name: 2-cyanopropan-2-yl 3-phenylpropanoate Openeye Name: (1-cyano-1-methyl-ethyl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 2-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-2-yl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (1-cyano-1-methyl-ethyl) ester Formula: C13H15NO2 MolecularWeight: 217.2637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)OC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C#N)OC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C13H15NO2/c1-13(2,10-14)16-12(15)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3