Basic information
- Standard SMILES
CCOC(=O)CC(OCC)c1ccc(OCc2cccc(-n3cccc3)c2)cc1- InChIKey
LGYSWWDVEDRLPD-UHFFFAOYSA-N- Molecular formula
- C24H27NO4
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.19400834
Names & identifiers
- Preferred name
- Ethyl 3-ethoxy-3-(4-{[3-(1H-pyrrol-1-yl)benzyl]oxy}phenyl)propionate
- IUPAC
- ethyl 3-ethoxy-3-[4-[(3-pyrrol-1-ylphenyl)methoxy]phenyl]propanoate
Names & synonyms
SCHEMBL1508197LGYSWWDVEDRLPD-UHFFFAOYSA-NEthyl 3-ethoxy-3-(4-{[3-(1H-pyrrol-1-yl)benzyl]oxy}phenyl)propionate
Database identifiers
- PubChem CID
- 67058083
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 472
Related reactions
2 records
Compound notes
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