2-[4-(pyrazol-1-ylmethyl)phenyl]benzoic acid

Systemtic Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]benzoic acid Openeye Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]benzoic acid CAS Name: 2-[4-(1-pyrazolylmethyl)phenyl]benzoic acid IUPAC Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]benzoic acid Traditional Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]benzoic acid Formula: C17H14N2O2 MolecularWeight: 278.30526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=CC=N3)C(=O)O

InChI

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