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

Systemtic Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-3-phenethyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=C(C(=N2)CCC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=C(C(=N2)CCC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2/c1-28(2,3)22-15-17-23(18-16-22)30-26(21-12-8-5-9-13-21)25(27(31)32)24(29-30)19-14-20-10-6-4-7-11-20/h4-13,15-18H,14,19H2,1-3H3,(H,31,32)