[4-[(1S)-1-(Aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate

CAS Registry Number®

1254032-66-0

CAS Name

[4-[(1S)-1-(Aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate

Molecular Formula

C28H27N3O3

Molecular Mass

453.53

Cite this Page

[4-[(1S)-1-(Aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1254032-66-0 (retrieved 2024-11-22) (CAS RN: 1254032-66-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H27N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)/t26-/m1/s1

InChIKey

InChIKey=OURRXQUGYQRVML-AREMUKBSSA-N

SMILES

N(C([C@H](CN)C1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)=O)C3=CC4=C(C=C3)C=NC=C4

Canonical SMILES

O=C(OCC1=CC=C(C=C1)C(C(=O)NC=2C=CC=3C=NC=CC3C2)CN)C4=CC=C(C=C4C)C

Other Names for this Substance

  • Benzoic acid, 2,4-dimethyl-, [4-[(1S)-1-(aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl ester
  • [4-[(1S)-1-(Aminomethyl)-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate
  • Netarsudil
  • AR 13324
  • Rhopressa

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Deleted or Replaced CAS Registry Numbers

1628418-15-4, 1715937-96-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration