1-(4-tert-butylphenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-ethyl-3-phenethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-ethyl-3-phenethylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid Formula: C24H28N2O2 MolecularWeight: 376.49132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H28N2O2/c1-5-21-22(23(27)28)20(16-11-17-9-7-6-8-10-17)25-26(21)19-14-12-18(13-15-19)24(2,3)4/h6-10,12-15H,5,11,16H2,1-4H3,(H,27,28)