Basic information
- CAS
36576-73-5- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(C2CCC3CCCC2C3=O)CC1.O=C(O)/C=C/C(=O)O- InChIKey
FVJFORILOZEQCA-WLHGVMLRSA-N- Molecular formula
- C27H35NO7
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.24135246
Names & identifiers
- Preferred name
- 4-Piperidinecarboxylic acid, 1-(9-oxobicyclo(3.3.1)non-2-yl)-4-phenyl-, ethyl ester, maleate
- IUPAC
- (E)-but-2-enedioic acid;ethyl 1-(9-oxo-2-bicyclo[3.3.1]nonanyl)-4-phenylpiperidine-4-carboxylate
Names & synonyms
4-Piperidinecarboxylic acid, 1-(9-oxobicyclo(3.3.1)non-2-yl)-4-phenyl-, ethyl ester, maleate36576-73-5RefChem:10714251-(9-Oxobicyclo(3.3.1)non-2-yl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester maleate
Database identifiers
- CAS
36576-73-5- PubChem CID
- 6445488
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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