Ethyl 4-cyano-3,4-diphenylbutanoate
Basic information
- CAS
31861-57-1- Standard SMILES
CCOC(=O)CC(c1ccccc1)C(C#N)c1ccccc1- InChIKey
AWLJBWCYUQTEIF-UHFFFAOYSA-N- Molecular formula
- C19H19NO2
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.14157885
Names & identifiers
- Preferred name
- Ethyl 4-cyano-3,4-diphenylbutanoate
- IUPAC
- ethyl 4-cyano-3,4-diphenylbutanoate
Names & synonyms
ethyl 4-cyano-3,4-diphenylbutanoate31861-57-1DTXSID70279322RefChem:343931DTXCID10230477NSC12263Benzenebutanoic acid, g-cyano-b-phenyl-, ethyl esterSCHEMBL11157075ethyl 3,4-diphenyl-4-cyanobutyrateNSC-12263DS-010105
Database identifiers
- CAS
31861-57-1- PubChem CID
- 224038
- DTXSID
DTXSID70279322
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
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Compound notes
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