Basic information
- Standard SMILES
CC(C)(C)OC(=O)C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O- InChIKey
XJIWDTXXLQXOOD-ZGCXVMDJSA-N- Molecular formula
- C22H29NO5
- Average molar mass
- 387.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 2-[(2R,6S,E)-5,12-Dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetate
- IUPAC
- tert-butyl 2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetate
Names & synonyms
tert-Butyl 2-[(2R,6S,E)-5,12-Dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetatetert-butyl 2-((2R,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetateSCHEMBL2192016XJIWDTXXLQXOOD-ZGCXVMDJSA-N1192277-14-7SY455846
Database identifiers
- PubChem CID
- 58348121
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 572
Related reactions
1 records
Compound notes
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