1-(4-tert-butylphenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-(2-phenylpropyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H32N2O2/c1-6-10-23-24(25(29)30)22(17-18(2)19-11-8-7-9-12-19)27-28(23)21-15-13-20(14-16-21)26(3,4)5/h7-9,11-16,18H,6,10,17H2,1-5H3,(H,29,30)