3-[3-ethyl-5-(2-fluoranylphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3-ethyl-5-(2-fluoranylphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid CAS Name: 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid Traditional Name: 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]propionic acid Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CCC(=O)O)OC2=CC=CC=C2F)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=NN(C(=C1CCC(=O)O)OC2=CC=CC=C2F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21FN2O4/c1-3-18-16(12-13-20(25)26)21(28-19-7-5-4-6-17(19)22)24(23-18)14-8-10-15(27-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,25,26)