Basic information
- Standard SMILES
Cc1ncccc1COc1ccc(Cn2cc(CCC(=O)O)c(-c3ccccc3)c2)cc1- InChIKey
CASHMHPERBLALO-UHFFFAOYSA-N- Molecular formula
- C27H26N2O3
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.1943427
Names & identifiers
- Preferred name
- 3-[1-[4-(2-Methyl-3-pyridylmethoxy)benzyl]-4-phenyl-3-pyrrolyl]propionic acid
- IUPAC
- 3-[1-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]-4-phenylpyrrol-3-yl]propanoic acid
Names & synonyms
SCHEMBL5381757CASHMHPERBLALO-UHFFFAOYSA-N3-[1-[4-(2-methyl-3-pyridylmethoxy)benzyl]-4-phenyl-3-pyrrolyl]propionic acid
Database identifiers
- PubChem CID
- 69422982
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 571
Related reactions
1 records
Compound notes
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