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Tert-butyl 3-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl]benzoate (HCID 73455865)|Huagongshe
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Compound
Tert-butyl 3-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl]benzoate
HCID
73455865
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)(C)OC(=O)c1cccc(C=CC(=O)N2C(=O)OCC2Cc2ccccc2)c1
InChIKey
HFBRKPQJGZCIOY-UHFFFAOYSA-N
Molecular formula
C24H25NO5
Average molar mass
407.5 g/mol
Names & identifiers
Preferred name
Tert-butyl 3-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl]benzoate
IUPAC
tert-butyl 3-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxoprop-1-enyl]benzoate
Database identifiers
PubChem CID
73455865
Properties
Computed structural properties
XLogP
4.6
Topological polar surface area
72.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Formal charge
0
Complexity
659
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
90536
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
2148774
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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