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

Systemtic Name: 3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]propanoate Openeye Name: 3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)propanoate CAS Name: 3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]propanoate IUPAC Name: 3-(1-benzyl-3,5-dimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)propionate Formula: C15H17N2O2- MolecularWeight: 257.30768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2/c1-11-14(8-9-15(18)19)12(2)17(16-11)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,19)/p-1