1-[(3S,4R)-3-([1,1′-Biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]cyclopentanecarboxylic acid

CAS Registry Number®

158081-99-3
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CAS Name

1-[(3S,4R)-3-([1,1′-Biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]cyclopentanecarboxylic acid

Molecular Formula

C28H28O4

Molecular Mass

428.52

Cite this Page

1-[(3S,4R)-3-([1,1′-Biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]cyclopentanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=158081-99-3 (retrieved 2024-05-16) (CAS RN: 158081-99-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1

InChIKey

InChIKey=KMNLXCBYBKHKSK-BKMJKUGQSA-N

SMILES

C(O)(=O)C1(CCCC1)C=2C=C3C(=CC2)[C@H](O)[C@@H](CC4=CC=C(C=C4)C5=CC=CC=C5)CO3

Canonical SMILES

O=C(O)C1(C2=CC=C3C(OCC(CC=4C=CC(=CC4)C=5C=CC=CC5)C3O)=C2)CCCC1

Other Names for this Substance

  • Cyclopentanecarboxylic acid, 1-[(3S,4R)-3-([1,1′-biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]-
  • Cyclopentanecarboxylic acid, 1-[3-([1,1′-biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]-, (3S-trans)-
  • 1-[(3S,4R)-3-([1,1′-Biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]cyclopentanecarboxylic acid
  • CP 105696
  • Pfizer 105696

Deleted or Replaced CAS Registry Numbers

186912-87-8

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