(2R)-2-(4-{1-[3-(4-Benzylphenoxy)propyl]-5-methyl-1H-pyrrol-2-yl}phenoxy)-3-phenylpropanoic acid
Basic information
- Standard SMILES
Cc1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)O)cc2)n1CCCOc1ccc(Cc2ccccc2)cc1- InChIKey
QASDJKSRUITVMU-PGUFJCEWSA-N- Molecular formula
- C36H35NO4
- Average molar mass
- 545.7 g/mol
Names & identifiers
- Preferred name
- (2R)-2-(4-{1-[3-(4-Benzylphenoxy)propyl]-5-methyl-1H-pyrrol-2-yl}phenoxy)-3-phenylpropanoic acid
- IUPAC
- (2R)-2-[4-[1-[3-(4-benzylphenoxy)propyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid
Names & synonyms
SCHEMBL6278861QASDJKSRUITVMU-PGUFJCEWSA-N(2R)-2-(4-{1-[3-(4-Benzylphenoxy)propyl]-5-methyl-1H-pyrrol-2-yl}phenoxy)-3-phenylpropanoic acid
Database identifiers
- PubChem CID
- 69730769
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 747
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Related reactions
2 records
Compound notes
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