racemic 3-{4-[1-(4'-Trifluoromethyl-biphenyl-4-yloxymethyl)-heptyl]-benzoylamino}-propionic acid
Basic information
- Standard SMILES
CCCCCCC(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1- InChIKey
SRSCOUXKPAZTOH-UHFFFAOYSA-N- Molecular formula
- C31H34F3NO4
- Average molar mass
- 541.6 g/mol
Names & identifiers
- Preferred name
- racemic 3-{4-[1-(4'-Trifluoromethyl-biphenyl-4-yloxymethyl)-heptyl]-benzoylamino}-propionic acid
- IUPAC
- 3-[[4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]octan-2-yl]benzoyl]amino]propanoic acid
Names & synonyms
racemic 3-{4-[1-(4'-Trifluoromethyl-biphenyl-4-yloxymethyl)-heptyl]-benzoylamino}-propionic acidSCHEMBL2655565
Database identifiers
- PubChem CID
- 24765136
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 722
Related reactions
2 records
Compound notes
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