Basic information
- Standard SMILES
CO[C@@H](Cc1ccc(OCCOc2cccc(N3CCOCC3)c2)cc1)C(=O)O- InChIKey
LVILYJZJNNYORH-NRFANRHFSA-N- Molecular formula
- C22H27NO6
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- (2S)-2-Methoxy-3-{4-[2-(3-morpholin-4-yl-phenoxy)-ethoxy]-phenyl}-propionic acid
- IUPAC
- (2S)-2-methoxy-3-[4-[2-(3-morpholin-4-ylphenoxy)ethoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL5386076LVILYJZJNNYORH-NRFANRHFSA-N(2S)-2-Methoxy-3-{4-[2-(3-morpholin-4-yl-phenoxy)-ethoxy]-phenyl}-propionic acid
Database identifiers
- PubChem CID
- 58822906
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 476
Related reactions
1 records
Compound notes
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