(3-fluoranyl-4-methoxy-phenyl)methyl 4-cyanobenzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-cyanobenzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C16H12FNO3 MolecularWeight: 285.269783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C16H12FNO3/c1-20-15-7-4-12(8-14(15)17)10-21-16(19)13-5-2-11(9-18)3-6-13/h2-8H,10H2,1H3