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

Systemtic Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H30N2O2/c1-5-9-22-23(24(28)29)21(17-12-18-10-7-6-8-11-18)26-27(22)20-15-13-19(14-16-20)25(2,3)4/h6-8,10-11,13-16H,5,9,12,17H2,1-4H3,(H,28,29)