Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC(=O)c1cccc(-c2cc(COC3CCCCO3)on2)c1- InChIKey
WXSHWXSHDJJFMX-UHFFFAOYSA-N- Molecular formula
- C22H27NO6
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- (RS)-3-Oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-3-yl]-phenyl}-propionic acid tert.-butyl ester
- IUPAC
- tert-butyl 3-[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]phenyl]-3-oxopropanoate
Names & synonyms
SCHEMBL6167360WXSHWXSHDJJFMX-UHFFFAOYSA-N(RS)-3-Oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-3-yl]-phenyl}-propionic acid tert.-butyl ester
Database identifiers
- PubChem CID
- 69689155
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 560
Related reactions
9 records
Compound notes
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