3-[3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazol-4-yl]propanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=NC=C2CCC(=O)O)F)C#N

Isomeric SMILES

C1=CC(=C(C=C1CN2C=NC=C2CCC(=O)O)F)C#N

InChI

InChI=1S/C14H12FN3O2/c15-13-5-10(1-2-11(13)6-16)8-18-9-17-7-12(18)3-4-14(19)20/h1-2,5,7,9H,3-4,8H2,(H,19,20)