1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate

2.1.2 InChI

InChI=1S/C16H17NO6/c1-2-23-14(19)9-11(18)10-22-8-7-17-15(20)12-5-3-4-6-13(12)16(17)21/h3-6H,2,7-10H2,1H3

2.1.3 InChI Key

RIGKLAOKQFKWNN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CC(=O)COCCN1C(=O)C2=CC=CC=C2C1=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 88150-75-8

2. Ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate

3. Ethyl-4(2-phthalimido Ethoxy)acetoacetate

4. Ethyl 4-(2-phthalimidoethoxy)acetoacetate

5. Mfcd12407176

6. Ethyl 4-[2-(phthalimido)ethoxy]acetoacetate

7. Ethyl 4-(2-(phthalimido)ethoxy)acetoacetate

8. Schembl4985915

9. Dtxsid90431687

10. Rigklaokqfkwnn-uhfffaoysa-n

11. Ethyl4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate

12. Bcp33274

13. Ethyl 4-[2-(1,3-dioxo-2-isoindolinyl)ethoxy]-3-oxobutanoate

14. Akos015916097

15. Ac-5611

16. Ds-3729

17. Sb66146

18. Ethyl-4-(2-phthalimidoethoxy)acetoacetate

19. Sy271842

20. Cs-0061613

21. W17210

22. 4-(2-phthalimidylethoxy)acetoacetic Acid Ethyl Ester

23. 4-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethoxy]-3-oxo-butyric Acid Ethyl Ester

24. Ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxy]-3-oxobutanoate

25. Ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxyl]-3-oxobutanoate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₇NO₆
Molecular Weight	319.31 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	90
Heavy Atom Count	23
Formal Charge	0
Complexity	465
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 88150-75-8