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

Systemtic Name: 1-(4-tert-butylphenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-ethyl-3-hex-3-enyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-ethyl-3-hex-3-enylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)CC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)CC)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H30N2O2/c1-6-8-9-10-11-18-20(21(25)26)19(7-2)24(23-18)17-14-12-16(13-15-17)22(3,4)5/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,25,26)