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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(=N2)C)CCC(=O)O)OC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=N2)C)CCC(=O)O)OC3=CC(=CC=C3)F

InChI

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