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{3-[4'-Methanesulfonyl-3-(2-oxo-oxazolidin-3-ylmethyl)-biphenyl-4-yloxy]-4-methoxy-phenyl}-acetic acid ethyl ester

HCID 58237635
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)Cc1ccc(OC)c(Oc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2CN2CCOC2=O)c1
InChIKey
ARNCQIJJTDZBGO-UHFFFAOYSA-N
Molecular formula
C28H29NO8S
Average molar mass
539.6 g/mol
Monoisotopic mass
539.16138806

Names & identifiers

Preferred name
{3-[4'-Methanesulfonyl-3-(2-oxo-oxazolidin-3-ylmethyl)-biphenyl-4-yloxy]-4-methoxy-phenyl}-acetic acid ethyl ester
IUPAC
ethyl 2-[4-methoxy-3-[4-(4-methylsulfonylphenyl)-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]phenyl]acetate

Names & synonyms

SCHEMBL1644646ARNCQIJJTDZBGO-UHFFFAOYSA-N{3-[4'-Methanesulfonyl-3-(2-oxo-oxazolidin-3-ylmethyl)-biphenyl-4-yloxy]-4-methoxy-phenyl}-acetic acid ethyl ester

Database identifiers

PubChem CID
58237635

Properties

Computed structural propertiesFilling in

XLogP
3.9
Topological polar surface area
117 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
38
Formal charge
0
Complexity
897

Related reactions

2 records
New reaction record
HRID 179366 reaction equation
HRID 179366As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 885382 reaction equation
HRID 885382As productuspto-grants-2012_08

Compound notes

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