2-oxo-2-phenylethyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Basic information
- CAS
312916-22-6- Standard SMILES
CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)cc1- InChIKey
JFGTVYYIKPNPQQ-UHFFFAOYSA-N- Molecular formula
- C26H19NO7
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 457.11615195
Names & identifiers
- Preferred name
- 2-oxo-2-phenylethyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
- IUPAC
- phenacyl 2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate
Names & synonyms
2-oxo-2-phenylethyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate2-oxo-2-phenylethyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylateOprea1_286071Oprea1_789412STK267763AKOS000736396EU-0017566ST50299408AG-205/09087044SR-01000511451SR-01000511451-12-oxo-2-phenylethyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxobenzo[c]azoline-5-ca rboxylate
Database identifiers
- CAS
312916-22-6- PubChem CID
- 983580
- EC Number
- 163-216-5
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 810
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…