ethyl 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: ethyl 2-benzyl-5-tert-butyl-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-5-tert-butylpyrazole-3-carboxylate Traditional Name: 2-benzyl-5-tert-butyl-pyrazole-3-carboxylic acid ethyl ester Formula: C17H22N2O2 MolecularWeight: 286.36878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C17H22N2O2/c1-5-21-16(20)14-11-15(17(2,3)4)18-19(14)12-13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3