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

Systemtic Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-methyl-pyrazole-4-carboxylic acid Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-6-7-8-9-10-18-19(20(24)25)15(2)23(22-18)17-13-11-16(12-14-17)21(3,4)5/h7-8,11-14H,6,9-10H2,1-5H3,(H,24,25)