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(RS)-[2,6-difluoro-4-(pyridin-2-ylmethoxy)-phenyl]-ethoxy-acetic acid ethyl ester

HCID 69291981
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(OCC)c1c(F)cc(OCc2ccccn2)cc1F
InChIKey
GTOOXCMKNVJAHW-UHFFFAOYSA-N
Molecular formula
C18H19F2NO4
Average molar mass
351.3 g/mol

Names & identifiers

Preferred name
(RS)-[2,6-difluoro-4-(pyridin-2-ylmethoxy)-phenyl]-ethoxy-acetic acid ethyl ester
IUPAC
ethyl 2-[2,6-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-ethoxyacetate

Names & synonyms

SCHEMBL5045526GTOOXCMKNVJAHW-UHFFFAOYSA-N(RS)-[2,6-difluoro-4-(pyridin-2-ylmethoxy)-phenyl]-ethoxy-acetic acid ethyl ester

Database identifiers

PubChem CID
69291981

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
57.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
25
Formal charge
0
Complexity
401

Related reactions

2 records
New reaction record
HRID 153755 reaction equation
HRID 153755As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1247435 reaction equation
HRID 1247435As productuspto-grants-2006_10

Compound notes

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