Benzeneacetic acid, α-(acetyloxy)-, (αR)-, compd. with 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol (1:1)

CAS Registry Number®

959624-50-1

CAS Name

Benzeneacetic acid, α-(acetyloxy)-, (αR)-, compd. with 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol (1:1)

Molecular Formula

C22H31NO2.C10H10O4

Cite this Page

Benzeneacetic acid, α-(acetyloxy)-, (αR)-, compd. with 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=959624-50-1 (retrieved 2024-11-21) (CAS RN: 959624-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H31NO2.C10H10O4/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25;1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3;2-6,9H,1H3,(H,12,13)/t20-;9-/m11/s1

InChIKey

InChIKey=RWBQCFOSBJYVQB-NEJKBCOFSA-N

SMILES

[C@H](CCN(C(C)C)C(C)C)(C1=CC(CO)=CC=C1O)C2=CC=CC=C2.[C@H](OC(C)=O)(C(O)=O)C1=CC=CC=C1

Canonical SMILES

O=C(O)C(OC(=O)C)C=1C=CC=CC1.OC1=CC=C(C=C1C(C=2C=CC=CC2)CCN(C(C)C)C(C)C)CO

Other Names for this Substance

  • Benzeneacetic acid, α-(acetyloxy)-, (αR)-, compd. with 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol (1:1)
  • Desfesoterodine O-acetyl-(R)-mandelate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration