3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzoic acid

Systemtic Name: 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzoic acid Openeye Name: 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzoic acid CAS Name: 3-[(1,3,5-trimethyl-4-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzoic acid Traditional Name: 3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzoic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-9-13(10(2)16(3)15-9)8-11-5-4-6-12(7-11)14(17)18/h4-7H,8H2,1-3H3,(H,17,18)