(4-methylphenyl) 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: (4-methylphenyl) 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: p-tolyl 2-benzyl-5-tert-butyl-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-benzyl-5-tert-butylpyrazole-3-carboxylate Traditional Name: 2-benzyl-5-tert-butyl-pyrazole-3-carboxylic acid p-tolyl ester Formula: C22H24N2O2 MolecularWeight: 348.43816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C22H24N2O2/c1-16-10-12-18(13-11-16)26-21(25)19-14-20(22(2,3)4)23-24(19)15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3