methyl 2-[4-(cyanomethyl)phenyl]benzoate

Systemtic Name: methyl 2-[4-(cyanomethyl)phenyl]benzoate Openeye Name: methyl 2-[4-(cyanomethyl)phenyl]benzoate CAS Name: 2-[4-(cyanomethyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(cyanomethyl)phenyl]benzoate Traditional Name: 2-[4-(cyanomethyl)phenyl]benzoic acid methyl ester Formula: C16H13NO2 MolecularWeight: 251.27992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CC#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H13NO2/c1-19-16(18)15-5-3-2-4-14(15)13-8-6-12(7-9-13)10-11-17/h2-9H,10H2,1H3