3-[3-ethyl-5-(3-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3-ethyl-5-(3-fluoranylphenoxy)-1-phenyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]propanoic acid Traditional Name: 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenyl-pyrazol-4-yl]propionic acid Formula: C20H19FN2O3 MolecularWeight: 354.374863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CCC(=O)O)OC2=CC(=CC=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(=C1CCC(=O)O)OC2=CC(=CC=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C20H19FN2O3/c1-2-18-17(11-12-19(24)25)20(26-16-10-6-7-14(21)13-16)23(22-18)15-8-4-3-5-9-15/h3-10,13H,2,11-12H2,1H3,(H,24,25)