Basic information
- Standard SMILES
O=C(O)C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O- InChIKey
KRMMNAJKKRCAMP-VYFMESHYSA-N- Molecular formula
- C18H21NO5
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 2-((3R,11S,E)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl)acetic acid
- IUPAC
- 2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetic acid
Names & synonyms
SCHEMBL2188262KRMMNAJKKRCAMP-VYFMESHYSA-N2-((3R,11S,E)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl)acetic acid
Database identifiers
- PubChem CID
- 67310437
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Related reactions
1 records
Compound notes
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