2-Oxaspiro(4.4)nonane-3-acetic acid, 1-oxo-3-phenyl-, 3-quinuclidinyl ester
Basic information
- CAS
101834-44-0- Standard SMILES
O=C(CC1(c2ccccc2)CC2(CCCC2)C(=O)O1)OC1CN2CCC1CC2- InChIKey
UQOGNXAGMVIZRK-UHFFFAOYSA-N- Molecular formula
- C23H29NO4
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.20965841
Names & identifiers
- Preferred name
- 2-Oxaspiro(4.4)nonane-3-acetic acid, 1-oxo-3-phenyl-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-(1-oxo-3-phenyl-2-oxaspiro[4.4]nonan-3-yl)acetate
Names & synonyms
101834-44-01-Oxo-3-phenyl-2-oxaspiro(4,4)nonane-3-acetic acid 3-quinuclidinyl ester2-OXASPIRO(4.4)NONANE-3-ACETIC ACID, 1-OXO-3-PHENYL-, 3-QUINUCLIDINYL ESTERRefChem:264565DTXSID109067411-Azabicyclo[2.2.2]octan-3-yl (1-oxo-3-phenyl-2-oxaspiro[4.4]nonan-3-yl)acetate
Database identifiers
- CAS
101834-44-0- PubChem CID
- 59055
- DTXSID
DTXSID10906741- Nikkaji
- J78.502D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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