[(2R)-2-(cyanomethyl)-3-(4-methoxyphenyl)propyl] ethanoate

Systemtic Name: [(2R)-2-(cyanomethyl)-3-(4-methoxyphenyl)propyl] ethanoate Openeye Name: [(2R)-2-(cyanomethyl)-3-(4-methoxyphenyl)propyl] acetate CAS Name: acetic acid [(2R)-2-(cyanomethyl)-3-(4-methoxyphenyl)propyl] ester IUPAC Name: [(2R)-2-(cyanomethyl)-3-(4-methoxyphenyl)propyl] acetate Traditional Name: acetic acid [(2R)-2-(cyanomethyl)-3-(4-methoxyphenyl)propyl] ester Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC#N)CC1=CC=C(C=C1)OC

Isomeric SMILES

CC(=O)OC[C@@H](CC#N)CC1=CC=C(C=C1)OC

InChI

InChI=1S/C14H17NO3/c1-11(16)18-10-13(7-8-15)9-12-3-5-14(17-2)6-4-12/h3-6,13H,7,9-10H2,1-2H3/t13-/m0/s1