CAS 200937-66-2

4-(4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-1H-indazol-1-yl)benzoic acid

Description:

4-(4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-1H-indazol-1-yl)benzoic acid, with the CAS number 200937-66-2, is a chemical compound characterized by its complex structure that includes both an indazole and a benzoic acid moiety. This compound features a tetrahydroindazole ring, which contributes to its potential biological activity, and a carboxylic acid functional group that enhances its solubility in polar solvents. The presence of multiple methyl groups in the indazole structure suggests that it may exhibit unique steric and electronic properties, potentially influencing its reactivity and interactions with biological targets. The compound may be of interest in medicinal chemistry due to its structural features, which could be associated with various pharmacological activities. Additionally, its synthesis and characterization would typically involve standard organic chemistry techniques, and its stability and reactivity would depend on the specific conditions under which it is handled. Overall, this compound represents a fascinating example of a synthetic organic molecule with potential applications in drug development and research.

Formula: C₁₇H₁₈N₂O₃

InChI: InChI=1S/C17H18N2O3/c1-10-15-13(8-17(2,3)9-14(15)20)19(18-10)12-6-4-11(5-7-12)16(21)22/h4-7H,8-9H2,1-3H3,(H,21,22)

InChI key: InChIKey=ZNDCVQAMRZVWBO-UHFFFAOYSA-N

SMILES: CC1=NN(C2=C1C(=O)CC(C)(C)C2)C3=CC=C(C(O)=O)C=C3

Synonyms:

• Benzoic acid, 4-(4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-1H-indazol-1-yl)-
• 4-(4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-1H-indazol-1-yl)benzoic acid