Basic information
- Standard SMILES
CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(C(=O)NCCc3ccccc3)cc2)c(C#N)c1- InChIKey
RUJWZCJYYWOFCZ-UHFFFAOYSA-N- Molecular formula
- C28H28N2O4
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.20490738
Names & identifiers
- Preferred name
- Tert-butyl 2-(3-cyano-4-(4-(phenethylcarbamoyl)phenoxy)phenyl)acetate
- IUPAC
- tert-butyl 2-[3-cyano-4-[4-(2-phenylethylcarbamoyl)phenoxy]phenyl]acetate
Names & synonyms
SCHEMBL2985884RUJWZCJYYWOFCZ-UHFFFAOYSA-Ntert-butyl 2-(3-cyano-4-(4-(phenethylcarbamoyl)phenoxy)phenyl)acetate
Database identifiers
- PubChem CID
- 68466922
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 708
Related reactions
5 records
Compound notes
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