(2E)-3-{2-[(1R)-1-({(2R)-3-[(2S)-2-(3-Fluoro-4-methylbenzyl)pyrrolidin-1-yl]-2-hydroxypropyl}oxy)ethyl]phenyl}prop-2-enoic acid
Basic information
- Standard SMILES
Cc1ccc(C[C@@H]2CCCN2C[C@@H](O)CO[C@H](C)c2ccccc2/C=C/C(=O)O)cc1F- InChIKey
FCHVVDBREZAHHF-JWVRHJFJSA-N- Molecular formula
- C26H32FNO4
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.23153666
Names & identifiers
- Preferred name
- (2E)-3-{2-[(1R)-1-({(2R)-3-[(2S)-2-(3-Fluoro-4-methylbenzyl)pyrrolidin-1-yl]-2-hydroxypropyl}oxy)ethyl]phenyl}prop-2-enoic acid
- IUPAC
- (E)-3-[2-[(1R)-1-[(2R)-3-[(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropoxy]ethyl]phenyl]prop-2-enoic acid
Names & synonyms
SCHEMBL2476300FCHVVDBREZAHHF-JWVRHJFJSA-N(2E)-3-{2-[(1R)-1-({(2R)-3-[(2S)-2-(3-Fluoro-4-methylbenzyl)pyrrolidin-1-yl]-2-hydroxypropyl}oxy)ethyl]phenyl}prop-2-enoic acid
Database identifiers
- PubChem CID
- 46701697
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 615
Related reactions
1 records
Compound notes
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