methyl 2-[3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazol-4-yl]ethanoate

Systemtic Name: methyl 2-[3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazol-4-yl]ethanoate Openeye Name: methyl 2-[3-[(4-cyano-3-fluoro-phenyl)methyl]imidazol-4-yl]acetate CAS Name: 2-[3-[(4-cyano-3-fluorophenyl)methyl]-4-imidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]acetate Traditional Name: 2-[3-(4-cyano-3-fluoro-benzyl)imidazol-4-yl]acetic acid methyl ester Formula: C14H12FN3O2 MolecularWeight: 273.262383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CN=CN1CC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

COC(=O)CC1=CN=CN1CC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C14H12FN3O2/c1-20-14(19)5-12-7-17-9-18(12)8-10-2-3-11(6-16)13(15)4-10/h2-4,7,9H,5,8H2,1H3