Basic information
- Standard SMILES
CCOC(=O)c1coc([C@H](CCCC2CCCCC2)CC(=O)O)n1.O=C(O)C(F)(F)F- InChIKey
SIWQBFJEYIHVTQ-PFEQFJNWSA-N- Molecular formula
- C20H28F3NO7
- Average molar mass
- 451.4 g/mol
Names & identifiers
- Preferred name
- (3R)-6-Cyclohexyl-3-[4-(ethoxycarbonyl)-1,3-oxazol-2-yl]hexanoic acid trifluoroacetate
- IUPAC
- (3R)-6-cyclohexyl-3-(4-ethoxycarbonyl-1,3-oxazol-2-yl)hexanoic acid;2,2,2-trifluoroacetic acid
Names & synonyms
(3R)-6-Cyclohexyl-3-[4-(ethoxycarbonyl)-1,3-oxazol-2-yl]hexanoic acid trifluoroacetateSCHEMBL6428660
Database identifiers
- PubChem CID
- 69778281
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 492
Related reactions
4 records
Compound notes
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