4-[[(4-Carboxybutyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid

CAS Registry Number®

329773-35-5

CAS Name

4-[[(4-Carboxybutyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid

Molecular Formula

C36H39NO5

Molecular Mass

565.70

Cite this Page

4-[[(4-Carboxybutyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=329773-35-5 (retrieved 2024-11-22) (CAS RN: 329773-35-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-153 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)

InChIKey

InChIKey=WPYWMXNXEZFMAK-UHFFFAOYSA-N

SMILES

O(CC1=CC=C(CCC2=CC=CC=C2)C=C1)C3=C(CCN(CC4=CC=C(C(O)=O)C=C4)CCCCC(O)=O)C=CC=C3

Canonical SMILES

O=C(O)C1=CC=C(C=C1)CN(CCC=2C=CC=CC2OCC3=CC=C(C=C3)CCC=4C=CC=CC4)CCCCC(=O)O

Other Names for this Substance

  • Benzoic acid, 4-[[(4-carboxybutyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]-
  • 4-[[(4-Carboxybutyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
  • BAY 58-2667
  • Cinaciguat

CAS INSIGHTSTM
Targeted protein degrader structure, illustration