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

Systemtic Name: 3-[1-(3-chlorophenyl)-5-(3-fluoranylphenoxy)-3-methyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(3-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(3-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(3-chlorophenyl)-5-(3-fluorophenoxy)-3-methylpyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(3-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-pyrazol-4-yl]propionic acid Formula: C19H16ClFN2O3 MolecularWeight: 374.793343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC(=O)O)OC2=CC(=CC=C2)F)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C(=C1CCC(=O)O)OC2=CC(=CC=C2)F)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H16ClFN2O3/c1-12-17(8-9-18(24)25)19(26-16-7-3-5-14(21)11-16)23(22-12)15-6-2-4-13(20)10-15/h2-7,10-11H,8-9H2,1H3,(H,24,25)