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Substance Name: E-3030 free acid
RN: 478926-45-3
UNII: 029U06V15C
InChIKey: QICKBMIIFBKLBR-RXVVDRJESA-N

Molecular Formula

  • C22-H23-Cl-F-N-O5

Molecular Weight

  • 435.8767
 
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Names and Synonyms

Name of Substance

  • E-3030 free acid

Synonyms

  • (2S)-3-(3-((2S)-3-(4-Chloro-2-cyanophenoxy)-2-fluoropropoxy)phenyl)-2-isopropoxypropionic acid
  • Benzenepropanoic acid, 3-((2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy)-alpha-(1-methylethoxy)-, (alphaS)-
  • E-3030 free acid
  • E3030 free acid
  • UNII-029U06V15C

Registry Numbers

CAS Registry Number

  • 478926-45-3

FDA UNII

  • 029U06V15C

System Generated Number

  • 0478926453

Structure Descriptors

InChI

1S/C22H23ClFNO5/c1-14(2)30-21(22(26)27)9-15-4-3-5-19(8-15)28-12-18(24)13-29-20-7-6-17(23)10-16(20)11-25/h3-8,10,14,18,21H,9,12-13H2,1-2H3,(H,26,27)/t18-,21-/m0/s1

InChIKey

QICKBMIIFBKLBR-RXVVDRJESA-N

Smiles

CC(C)O[C@@H](Cc1cccc(OC[C@H](F)COc2ccc(Cl)cc2C#N)c1)C(=O)O