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

Systemtic Name: 2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]propanoic acid Openeye Name: 2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)propanoic acid CAS Name: 2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]propanoic acid IUPAC Name: 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)propanoic acid Traditional Name: 2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)propionic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(C)C(=O)O

InChI

InChI=1S/C15H18N2O2/c1-10(15(18)19)14-11(2)16-17(12(14)3)9-13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3,(H,18,19)