Basic information
- Standard SMILES
COc1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1- InChIKey
XYYHOGXXNRUYGT-HMTLIYDFSA-N- Molecular formula
- C23H28N2O3
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- (R)-quinuclidin-3-yl 2-(4-methoxybenzylamino)-2-phenylacetate
- IUPAC
- [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-[(4-methoxyphenyl)methylamino]-2-phenylacetate
Names & synonyms
SCHEMBL2483489XYYHOGXXNRUYGT-HMTLIYDFSA-N(R)-quinuclidin-3-yl 2-(4-methoxybenzylamino)-2-phenylacetate
Database identifiers
- PubChem CID
- 59401167
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 492
Related reactions
2 records
Compound notes
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