4-[5-(4-tert-butylphenyl)-1-methyl-pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(4-tert-butylphenyl)-1-methyl-pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(4-tert-butylphenyl)-1-methyl-pyrazol-3-yl]benzoic acid CAS Name: 4-[5-(4-tert-butylphenyl)-1-methyl-3-pyrazolyl]benzoic acid IUPAC Name: 4-[5-(4-tert-butylphenyl)-1-methylpyrazol-3-yl]benzoic acid Traditional Name: 4-[5-(4-tert-butylphenyl)-1-methyl-pyrazol-3-yl]benzoic acid Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NN2C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NN2C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O2/c1-21(2,3)17-11-9-15(10-12-17)19-13-18(22-23(19)4)14-5-7-16(8-6-14)20(24)25/h5-13H,1-4H3,(H,24,25)