3-[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propanoic acid CAS Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propanoic acid Traditional Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)pyrazol-4-yl]propionic acid Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O3/c1-3-19-18(11-12-20(25)26)21(27-17-6-4-5-14(2)13-17)24(23-19)16-9-7-15(22)8-10-16/h4-10,13H,3,11-12H2,1-2H3,(H,25,26)