2-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid Openeye Name: 2-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid CAS Name: 2-[(3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 2-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid Traditional Name: 2-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C13H14N2O2/c1-9-7-10(2)15(14-9)8-11-5-3-4-6-12(11)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)