[4-(cyanomethyl)phenyl] 2-(2,5-dimethylphenoxy)ethanoate

Systemtic Name: [4-(cyanomethyl)phenyl] 2-(2,5-dimethylphenoxy)ethanoate Openeye Name: [4-(cyanomethyl)phenyl] 2-(2,5-dimethylphenoxy)acetate CAS Name: 2-(2,5-dimethylphenoxy)acetic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 2-(2,5-dimethylphenoxy)acetate Traditional Name: 2-(2,5-dimethylphenoxy)acetic acid [4-(cyanomethyl)phenyl] ester Formula: C18H17NO3 MolecularWeight: 295.33248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C18H17NO3/c1-13-3-4-14(2)17(11-13)21-12-18(20)22-16-7-5-15(6-8-16)9-10-19/h3-8,11H,9,12H2,1-2H3