rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone

CAS Registry Number®

176894-09-0
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CAS Name

rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone

Molecular Formula

C27H25F2NO4

Molecular Mass

465.49

Cite this Page

rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=176894-09-0 (retrieved 2024-04-23) (CAS RN: 176894-09-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C27H25F2NO4/c28-21-5-1-18(2-6-21)24-11-12-30(15-25(31)19-3-7-22(29)8-4-19)14-20(24)16-32-23-9-10-26-27(13-23)34-17-33-26/h1-10,13,20,24H,11-12,14-17H2/t20-,24-/s2

InChIKey

InChIKey=FAHGZANUNVVDFL-YCYISBKGNA-N

SMILES

C(OC=1C=C2C(=CC1)OCO2)[C@H]3[C@@H](CCN(CC(=O)C4=CC=C(F)C=C4)C3)C5=CC=C(F)C=C5

Canonical SMILES

O=C(C1=CC=C(F)C=C1)CN2CCC(C3=CC=C(F)C=C3)C(COC4=CC=C5OCOC5=C4)C2

Other Names for this Substance

  • Ethanone, 2-[(3R,4S)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)-, rel-
  • Ethanone, 2-[3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)-, trans-
  • rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone
  • Omiloxetine

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