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

Systemtic Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H30N2O2/c1-5-6-7-11-14-22-23(25(29)30)24(19-12-9-8-10-13-19)28(27-22)21-17-15-20(16-18-21)26(2,3)4/h6-10,12-13,15-18H,5,11,14H2,1-4H3,(H,29,30)