(4E)-4-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-1-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)pyrrolidine-2,3-dione
Basic information
- CAS
489444-28-2- Standard SMILES
CCOc1ccc(C2/C(=C(\O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1- InChIKey
XIAPBBIMXOUBOB-ORIPQNMZSA-N- Molecular formula
- C31H34N2O5
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.24677219
Names & identifiers
- Preferred name
- (4E)-4-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-1-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)pyrrolidine-2,3-dione
- IUPAC
- (4E)-1-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione
Names & synonyms
STK615106STK812769AKOS002196067AKOS005549813AKOS016064151ST50088731(4E)-4-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-1-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)pyrrolidine-2,3-dione1-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-3-hydroxy-4-{[3-methyl-4-(phenyl methoxy)phenyl]carbonyl}-3-pyrrolin-2-one4-(4-(benzyloxy)-3-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(4-ethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one4-[4-(BENZYLOXY)-3-METHYLBENZOYL]-1-[2-(DIMETHYLAMINO)ETHYL]-5-(4-ETHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE4-{[4-(benzyloxy)-3-methylphenyl]carbonyl}-1-[2-(dimethylamino)ethyl]-5-(4-ethoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
489444-28-2- PubChem CID
- 5874429
- EC Number
- 134-930-4
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 828
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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