Basic information
- Standard SMILES
COC(=O)CCCC#CCN1C(=O)CCC[C@@H]1/C=C/C(=O)Cc1ccccc1- InChIKey
DOAHQLBJWVAVFP-UHPIZROJSA-N- Molecular formula
- C23H27NO4
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.19400834
Names & identifiers
- Preferred name
- 7-[(R)-2-oxo-6-((E)-3-oxo-4-phenyl-but-1-enyl)-piperidin-1-yl]-hept-5-ynoic acid methyl ester
- IUPAC
- methyl 7-[(6R)-2-oxo-6-[(E)-3-oxo-4-phenylbut-1-enyl]piperidin-1-yl]hept-5-ynoate
Names & synonyms
SCHEMBL4377056DOAHQLBJWVAVFP-UHPIZROJSA-N7-[(R)-2-oxo-6-((E)-3-oxo-4-phenyl-but-1-enyl)-piperidin-1-yl]-hept-5-ynoic acid methyl ester
Database identifiers
- PubChem CID
- 69021598
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 633
Related reactions
4 records
Compound notes
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