3-[3-fluoranyl-2-[(4-fluoranylpyrazol-1-yl)methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-fluoranyl-2-[(4-fluoranylpyrazol-1-yl)methyl]phenyl]propanoic acid Openeye Name: 3-[3-fluoro-2-[(4-fluoropyrazol-1-yl)methyl]phenyl]propanoic acid CAS Name: 3-[3-fluoro-2-[(4-fluoro-1-pyrazolyl)methyl]phenyl]propanoic acid IUPAC Name: 3-[3-fluoro-2-[(4-fluoropyrazol-1-yl)methyl]phenyl]propanoic acid Traditional Name: 3-[3-fluoro-2-[(4-fluoropyrazol-1-yl)methyl]phenyl]propionic acid Formula: C13H12F2N2O2 MolecularWeight: 266.243386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)CN2C=C(C=N2)F)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)F)CN2C=C(C=N2)F)CCC(=O)O

InChI

InChI=1S/C13H12F2N2O2/c14-10-6-16-17(7-10)8-11-9(4-5-13(18)19)2-1-3-12(11)15/h1-3,6-7H,4-5,8H2,(H,18,19)