2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethanoate

Systemtic Name: 2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethanoate Openeye Name: 2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)acetate CAS Name: 2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]acetate IUPAC Name: 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)acetate Traditional Name: 2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)acetate Formula: C14H15N2O2- MolecularWeight: 243.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CC(=O)[O-]

InChI

InChI=1S/C14H16N2O2/c1-10-13(8-14(17)18)11(2)16(15-10)9-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,18)/p-1