3-tert-butyl-1-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-tert-butyl-pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-tert-butylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-tert-butyl-pyrazole-4-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C=C1C(=O)O)CC2=CC=CC=C2

InChI

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