Basic information
- Standard SMILES
COc1ccc(CCCCOc2ccc(CO)nc2/C=C/CC(=O)O)cc1- InChIKey
UASCMROODXGTGG-GQCTYLIASA-N- Molecular formula
- C21H25NO5
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- 2-(E-2-Carboxymethylethenyl)-3-[4-(4-methoxyphenyl)butyloxy]-6-hydroxymethylpyridine
- IUPAC
- (E)-4-[6-(hydroxymethyl)-3-[4-(4-methoxyphenyl)butoxy]-2-pyridinyl]but-3-enoic acid
Names & synonyms
SCHEMBL7022628UASCMROODXGTGG-GQCTYLIASA-N2-(E-2-Carboxymethylethenyl)-3-[4-(4-methoxyphenyl)butyloxy]-6-hydroxymethylpyridine
Database identifiers
- PubChem CID
- 19606830
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 448
Related reactions
1 records
Compound notes
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