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Substance Name: Sim 6080
RN: 118790-68-4
InChIKey: NOMSFNRBXCWAIE-UHFFFAOYSA-N

Molecular Formula

  • C29-H36-F2-N2-O3

Molecular Weight

  • 498.6104
 
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Names and Synonyms

Name of Substance

  • Sim 6080

Synonym

  • Sim-6080

Systematic Name

  • 1,2-Ethanediamine, N-(3,3-bis(4-fluorophenyl)propyl)-N,N'-dimethyl-N'-((3,4,5-trimethoxyphenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 118790-68-4

System Generated Number

  • 0118790684

Structure Descriptors

InChI

1S/C29H36F2N2O3/c1-32(16-17-33(2)20-21-18-27(34-3)29(36-5)28(19-21)35-4)15-14-26(22-6-10-24(30)11-7-22)23-8-12-25(31)13-9-23/h6-13,18-19,26H,14-17,20H2,1-5H3

InChIKey

NOMSFNRBXCWAIE-UHFFFAOYSA-N

Smiles

CN(CCC(c1ccc(cc1)F)c2ccc(cc2)F)CCN(C)Cc3cc(c(c(c3)OC)OC)OC