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CAS 898789-87-2

:

Benzoic acid, 4-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-, ethyl ester

Description:
Benzoic acid, 4-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-, ethyl ester, identified by CAS number 898789-87-2, is an organic compound characterized by its complex structure that includes a benzoic acid moiety and an ethyl ester functional group. This compound features a pyrrole ring, which contributes to its unique chemical properties and potential biological activity. Typically, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance applications. The presence of the pyrrole ring may suggest potential pharmacological properties, as pyrrole derivatives are often investigated for their biological activities. In terms of solubility, esters are generally more soluble in organic solvents than in water, which can influence their applications in various fields, including pharmaceuticals and agrochemicals. The compound's stability, reactivity, and potential interactions with other substances would depend on its specific functional groups and molecular structure, making it a subject of interest for further research in medicinal chemistry and material science.
Formula:C21H21NO3
InChI:InChI=1S/C21H21NO3/c1-2-25-21(24)18-10-8-17(9-11-18)20(23)19-7-5-6-16(14-19)15-22-12-3-4-13-22/h3-11,14H,2,12-13,15H2,1H3
InChI key:InChIKey=HBRDJACTSWDEOE-UHFFFAOYSA-N
SMILES:C(=O)(C1=CC(CN2CC=CC2)=CC=C1)C3=CC=C(C(OCC)=O)C=C3
Synonyms:
  • Benzoic acid, 4-[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]benzoyl]-, ethyl ester
  • Ethyl 4-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)benzoyl]benzoate
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