3-[1-(phenylmethyl)pyrazol-4-yl]benzoic acid

Systemtic Name: 3-[1-(phenylmethyl)pyrazol-4-yl]benzoic acid Openeye Name: 3-(1-benzylpyrazol-4-yl)benzoic acid CAS Name: 3-[1-(phenylmethyl)-4-pyrazolyl]benzoic acid IUPAC Name: 3-(1-benzylpyrazol-4-yl)benzoic acid Traditional Name: 3-(1-benzylpyrazol-4-yl)benzoic acid Formula: C17H14N2O2 MolecularWeight: 278.30526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C17H14N2O2/c20-17(21)15-8-4-7-14(9-15)16-10-18-19(12-16)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,21)