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Also known as: 201856-53-3, (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone, Schembl1134975, Amy16038, Akos016005641, Ac-23879
Molecular Formula
C20H21NO4
Molecular Weight
339.4  g/mol
InChI Key
XSYLUBKWRZCOQP-CXRLMVSZSA-N

CAS 201856-53-3
1 2D Structure

CAS 201856-53-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,4S)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one
2.1.2 InChI
InChI=1S/C20H21NO4/c1-3-24-14(2)25-18-17(15-10-6-4-7-11-15)21(20(18)23)19(22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14?,17-,18+/m0/s1
2.1.3 InChI Key
XSYLUBKWRZCOQP-CXRLMVSZSA-N
2.1.4 Canonical SMILES
CCOC(C)OC1C(N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
2.1.5 Isomeric SMILES
CCOC(C)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 201856-53-3

2. (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone

3. Schembl1134975

4. Amy16038

5. Akos016005641

6. Ac-23879

7. 856b533

8. A814313

9. J-501259

10. (3r,4s)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-azetidin-2-one

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 339.4 g/mol
Molecular Formula C20H21NO4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass339.14705815 g/mol
Monoisotopic Mass339.14705815 g/mol
Topological Polar Surface Area55.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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