3-(3-tert-butyl-4-phenylmethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(3-tert-butyl-4-phenylmethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-benzyloxy-3-tert-butyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(3-tert-butyl-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(3-tert-butyl-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-benzoxy-3-tert-butyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)16-11-15(17-12-18(20(24)25)23-22-17)9-10-19(16)26-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,23)(H,24,25)