Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate

CAS Registry Number®

181139-72-0

CAS Name

Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate

Molecular Formula

C28H24ClNO3

Molecular Mass

457.95

Cite this Page

Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=181139-72-0 (retrieved 2024-11-21) (CAS RN: 181139-72-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H24ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18,27,31H,12,16H2,1H3/b14-9+/t27-/m0/s1

InChIKey

InChIKey=KPCSDMZEMDMWKQ-SPNSGGJLSA-N

SMILES

C(=C/C1=CC([C@H](CCC2=C(C(OC)=O)C=CC=C2)O)=CC=C1)\C3=NC4=C(C=C3)C=CC(Cl)=C4

Canonical SMILES

O=C(OC)C=1C=CC=CC1CCC(O)C=2C=CC=C(C=CC=3N=C4C=C(Cl)C=CC4=CC3)C2

Other Names for this Substance

  • Benzoic acid, 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-, methyl ester
  • Benzoic acid, 2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-, methyl ester, [S-(E)]-
  • Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate
  • Methyl (S),(E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate

Deleted or Replaced CAS Registry Numbers

1600535-53-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration