Basic information
- Standard SMILES
CCOC(=O)CCCn1cc(C(=O)c2ccc(OCc3ccc(C)cc3)c(O)c2)c2ccccc21- InChIKey
KPEFBZWKDDLEQK-UHFFFAOYSA-N- Molecular formula
- C29H29NO5
- Average molar mass
- 471.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-{3-[3-hydroxy-4-(4-methylphenylmethoxy)benzoyl]indol-1-yl}butanoate
- IUPAC
- ethyl 4-[3-[3-hydroxy-4-[(4-methylphenyl)methoxy]benzoyl]indol-1-yl]butanoate
Names & synonyms
SCHEMBL7859329KPEFBZWKDDLEQK-UHFFFAOYSA-NEthyl 4-{3-[3-hydroxy-4-(4-methylphenylmethoxy) benzoyl]indol-1-yl}butanoateethyl 4-{3-[3-hydroxy-4-(4-methylphenylmethoxy)benzoyl]indol-1-yl}butanoate
Database identifiers
- PubChem CID
- 19085543
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 691
Related reactions
4 records
Linked notes
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