Basic information
- Standard SMILES
CCCOc1cc(C(F)(F)F)ccc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccc1OC- InChIKey
VRWFFFRJTHBMCC-UHFFFAOYSA-N- Molecular formula
- C25H30F3NO6
- Average molar mass
- 497.5 g/mol
Names & identifiers
- Preferred name
- 2-Isopropoxy-3-[4-methoxy-3-([2-propoxy-4-(trifluoromethyl)benzoyl]aminomethyl)phenyl]propanoic acid
- IUPAC
- 3-[4-methoxy-3-[[[2-propoxy-4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]-2-propan-2-yloxypropanoic acid
Names & synonyms
2-isopropoxy-3-[4-methoxy-3-([2-propoxy-4-(trifluoromethyl)benzoyl]aminomethyl)phenyl]propanoic acidSCHEMBL6495032
Database identifiers
- PubChem CID
- 22494042
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 674
Related reactions
2 records
Compound notes
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