1-(4-tert-butylphenyl)-3-hex-3-enyl-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-isopropyl-pyrazole-4-carboxylic acid Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2/c1-7-8-9-10-11-19-20(22(26)27)21(16(2)3)25(24-19)18-14-12-17(13-15-18)23(4,5)6/h8-9,12-16H,7,10-11H2,1-6H3,(H,26,27)