Basic information
- CAS
7017-58-5- Standard SMILES
C=CCOc1ccc(C2C(=C(O)c3cccc(OCCCC)c3)C(=O)C(=O)N2Cc2ccccc2)cc1- InChIKey
DGNDUTDLLVUVGK-UHFFFAOYSA-N- Molecular formula
- C31H31NO5
- Average molar mass
- 497.6 g/mol
- Monoisotopic mass
- 497.22022309
Names & identifiers
- Preferred name
- 1-Benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
- IUPAC
- 1-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
Names & synonyms
7017-58-51-benzyl-4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dioneDTXSID504100391-Benzyl-4-[(3-butoxyphenyl)(hydroxy)methylidene]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}pyrrolidine-2,3-dione
Database identifiers
- CAS
7017-58-5- PubChem CID
- 5208417
- DTXSID
DTXSID50410039
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 808
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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