3-Methyl-4-(pyridin-3-ylmethoxy)-benzofuran-2-carboxylic acid t-butyl ester

HCID 68716974
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Basic information

Standard SMILES
Cc1c(C(=O)OC(C)(C)C)oc2cccc(OCc3cccnc3)c12
InChIKey
QYQWBGRKPVWCPJ-UHFFFAOYSA-N
Molecular formula
C20H21NO4
Average molar mass
339.4 g/mol

Names & identifiers

Preferred name
3-Methyl-4-(pyridin-3-ylmethoxy)-benzofuran-2-carboxylic acid t-butyl ester
IUPAC
tert-butyl 3-methyl-4-(pyridin-3-ylmethoxy)-1-benzofuran-2-carboxylate

Names & synonyms

SCHEMBL3620721QYQWBGRKPVWCPJ-UHFFFAOYSA-N3-methyl-4-(pyridin-3-ylmethoxy)-benzofuran-2-carboxylic acid t-butyl ester

Database identifiers

PubChem CID
68716974

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
61.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
25

Related reactions

4 records
New reaction record

Linked notes

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