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CAS 914348-98-4

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1H-Indole-1-carboxylicacid, 3-formyl-5-(phenylmethoxy)-, 1,1-dimethylethyl ester

Description:
1H-Indole-1-carboxylic acid, 3-formyl-5-(phenylmethoxy)-, 1,1-dimethylethyl ester, with CAS number 914348-98-4, is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features a carboxylic acid functional group, an aldehyde group at the 3-position, and a phenylmethoxy group, contributing to its reactivity and potential biological activity. The presence of the tert-butyl ester group enhances its lipophilicity, which can influence its solubility and permeability in biological systems. The indole moiety is known for its role in various natural products and pharmaceuticals, often exhibiting significant biological activities, including antimicrobial and anticancer properties. The specific arrangement of substituents on the indole ring can affect the compound's pharmacological profile, making it a subject of interest in medicinal chemistry. Overall, this compound's unique structure and functional groups suggest potential applications in drug development and organic synthesis.
Formula:C21H21NO4
InChI:InChI=1S/C21H21NO4/c1-21(2,3)26-20(24)22-12-16(13-23)18-11-17(9-10-19(18)22)25-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChI key:InChIKey=YPZYCNKLMGEYBE-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(C=O)=C1)=CC(OCC3=CC=CC=C3)=CC2
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