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Basic information
- Standard SMILES
CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(OC2CCN(CCO)CC2)c1F- InChIKey
NRNWRZQPGILXBK-UHFFFAOYSA-N- Molecular formula
- C26H32FN3O5
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- (RS)-(4-cyano-phenylamino)-{5-ethoxy-2-fluoro-3-[1-(2-hydroxy-ethyl)-piperidin-4-yloxy]-phenyl}acetic acid ethyl ester
- IUPAC
- ethyl 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]acetate
Names & synonyms
SCHEMBL6875968NRNWRZQPGILXBK-UHFFFAOYSA-N(RS)-(4-cyano-phenylamino)-{5-ethoxy-2-fluoro-3-[1-(2-hydroxy-ethyl)-piperidin-4-yloxy]-phenyl}-acetic acid ethyl ester(RS)-(4-cyano-phenylamino)-{5-ethoxy-2-fluoro-3-[1-(2-hydroxy-ethyl)-piperidin-4-yloxy]-phenyl}acetic acid ethyl ester
Database identifiers
- PubChem CID
- 69924307
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 688
Related reactions
2 records
Compound notes
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