2-[[3-(1-ethyl-3-methyl-pyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[3-(1-ethyl-3-methyl-pyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid Openeye Name: 2-[[3-(1-ethyl-3-methyl-pyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid CAS Name: 2-[[3-(1-ethyl-3-methyl-4-pyrazolyl)-1-pyrazolyl]methyl]benzoic acid IUPAC Name: 2-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid Traditional Name: 2-[[3-(1-ethyl-3-methyl-pyrazol-4-yl)pyrazol-1-yl]methyl]benzoic acid Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NN(C=C2)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NN(C=C2)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H18N4O2/c1-3-20-11-15(12(2)18-20)16-8-9-21(19-16)10-13-6-4-5-7-14(13)17(22)23/h4-9,11H,3,10H2,1-2H3,(H,22,23)