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Substance Name: 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanamide
RN: 94313-65-2
InChIKey: LQSMXDMVIXNJEY-UHFFFAOYSA-N

Molecular Formula

  • C36-H44-N4-O5

Molecular Weight

  • 612.7666
 
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Names and Synonyms

Synonym

  • EINECS 304-963-0

Systematic Name

  • 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanamide

Registry Numbers

CAS Registry Number

  • 94313-65-2

System Generated Number

  • 0094313652

Structure Descriptors

InChI

1S/C36H44N4O5/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)39-27-20-30(42)28(21-29(27)41)40-34(44)38-25-16-13-23(22-37)14-17-25/h13-21,32H,8-12H2,1-7H3,(H,39,43)(H2,38,40,44)

InChIKey

LQSMXDMVIXNJEY-UHFFFAOYSA-N

Smiles

C([C@@H](CCCC)Oc1c(cc(cc1)C(CC)(C)C)C(CC)(C)C)(=O)NC1=CC(C(=CC1=O)NC(=O)Nc1ccc(cc1)C#N)=O