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Basic information
- Standard SMILES
COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CCOCc2ccccc2)c(O)c1- InChIKey
UQLBRTOMXLHOQN-DENIHFKCSA-N- Molecular formula
- C25H33NO5
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- Trans-tert-butyl 3-(2-(benzyloxy)ethyl)-4-(2-hydroxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3R,4S)-3-(2-hydroxy-4-methoxyphenyl)-4-(2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
Names & synonyms
UQLBRTOMXLHOQN-DENIHFKCSA-NTrans-tert-butyl 3-(2-(benzyloxy)ethyl)-4-(2-hydroxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 131731908
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 557
Related reactions
1 records
Compound notes
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