Basic information
- Standard SMILES
CCOC(=O)CCc1ccc(C#N)cc1OC[C@H]1CCCN1- InChIKey
GVVCGDBHIDHJEX-OAHLLOKOSA-N- Molecular formula
- C17H22N2O3
- Average molar mass
- 302.37 g/mol
Names & identifiers
- Preferred name
- ethyl 3-[4-cyano-(2R)-2-(pyrrolidine-2-ylmethoxy)phenyl]propionate
- IUPAC
- ethyl 3-[4-cyano-2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]propanoate
Names & synonyms
SCHEMBL6872097GVVCGDBHIDHJEX-OAHLLOKOSA-Nethyl 3-[4-cyano-(2R)-2-(pyrrolidine-2-ylmethoxy)phenyl]propionate
Database identifiers
- PubChem CID
- 69922876
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Related reactions
4 records
Compound notes
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