Diphenylmethyl (6R,7R)-7-(benzoylamino)-3-(chloromethyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS Registry Number®

68313-94-0
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CAS Name

Diphenylmethyl (6R,7R)-7-(benzoylamino)-3-(chloromethyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Molecular Formula

C29H25ClN2O6

Molecular Mass

532.97

Cite this Page

Diphenylmethyl (6R,7R)-7-(benzoylamino)-3-(chloromethyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68313-94-0 (retrieved 2024-08-16) (CAS RN: 68313-94-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H25ClN2O6/c1-36-29(31-25(33)21-15-9-4-10-16-21)27(35)32-23(22(17-30)18-37-28(29)32)26(34)38-24(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24,28H,17-18H2,1H3,(H,31,33)/t28-,29+/m1/s1

InChIKey

InChIKey=CXDDTRDLTGDBQQ-WDYNHAJCSA-N

SMILES

N(C(=O)C1=CC=CC=C1)[C@@]2(OC)[C@@]3(N(C2=O)C(C(OC(C4=CC=CC=C4)C5=CC=CC=C5)=O)=C(CCl)CO3)[H]

Canonical SMILES

O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3=C(CCl)COC4N3C(=O)C4(OC)NC(=O)C=5C=CC=CC5

Other Names for this Substance

  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(benzoylamino)-3-(chloromethyl)-7-methoxy-8-oxo-, diphenylmethyl ester, (6R,7R)-
  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(benzoylamino)-3-(chloromethyl)-7-methoxy-8-oxo-, diphenylmethyl ester, (6R-cis)-
  • Diphenylmethyl (6R,7R)-7-(benzoylamino)-3-(chloromethyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate