3-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]propanoic acid Openeye Name: 3-(1-benzyl-3-tert-butyl-pyrazol-4-yl)propanoic acid CAS Name: 3-[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-(1-benzyl-3-tert-butylpyrazol-4-yl)propanoic acid Traditional Name: 3-(1-benzyl-3-tert-butyl-pyrazol-4-yl)propionic acid Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1CCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C=C1CCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2/c1-17(2,3)16-14(9-10-15(20)21)12-19(18-16)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,20,21)