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

Systemtic Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-fluoranylphenoxy)pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-fluorophenoxy)pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-fluorophenoxy)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-fluorophenoxy)pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-(4-fluorophenoxy)pyrazol-4-yl]propionic acid Formula: C20H18ClFN2O3 MolecularWeight: 388.819923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O3/c1-2-18-17(10-11-19(25)26)20(27-16-8-6-14(22)7-9-16)24(23-18)15-5-3-4-13(21)12-15/h3-9,12H,2,10-11H2,1H3,(H,25,26)