Basic information
- Standard SMILES
O=C(O[C@H]1CN2CCC1CC2)[C@H](Nc1ccccc1)c1ccccc1- InChIKey
OEHKRTNZAMLBBF-VQTJNVASSA-N- Molecular formula
- C21H24N2O2
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- (R)-((R)-quinuclidin-3-yl) 2-phenyl-2-(phenylamino)acetate
- IUPAC
- [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-anilino-2-phenylacetate
Names & synonyms
SCHEMBL1695975OEHKRTNZAMLBBF-VQTJNVASSA-N(R)-((R)-quinuclidin-3-yl) 2-phenyl-2-(phenylamino)acetate(R)-phenyl-phenylamino-acetic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl)ester
Database identifiers
- PubChem CID
- 46840261
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Related reactions
19 records
Compound notes
Loading…