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

HCID 58237516
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)Cc1cccc(Oc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2CN2CCOC2=O)c1
InChIKey
VVLRGXYOCZTXSD-UHFFFAOYSA-N
Molecular formula
C27H27NO7S
Average molar mass
509.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1644156VVLRGXYOCZTXSD-UHFFFAOYSA-N{3-[4'-Methanesulfonyl-3-(2-oxo-oxazolidin-3-ylmethyl)-biphenyl-4-yloxy]-phenyl}-acetic acid ethyl ester

Database identifiers

PubChem CID
58237516

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
108 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
36
Formal charge
0
Complexity
849

Related reactions

2 records
New reaction record
HRID 885372 reaction equation
HRID 885372As productuspto-grants-2012_08
HRID 2134501 reaction equation
HRID 2134501As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes