2-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]acetic acid CAS Name: 2-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]acetic acid IUPAC Name: 2-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]acetic acid Traditional Name: 2-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]acetic acid Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2/c1-13-6-5-7-14(10-13)18-15(11-17(21)22)12-20(19-18)16-8-3-2-4-9-16/h2-10,12H,11H2,1H3,(H,21,22)