(3S)-2-(2,2-Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid

CAS Registry Number®

1316755-16-4

CAS Name

(3S)-2-(2,2-Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid

Molecular Formula

C32H29NO5

Molecular Mass

507.58

Cite this Page

(3S)-2-(2,2-Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1316755-16-4 (retrieved 2024-11-21) (CAS RN: 1316755-16-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    82-84 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1

InChIKey

InChIKey=GHBCIXGRCZIPNQ-MHZLTWQESA-N

SMILES

O(CC1=CC=CC=C1)C2=C3C(CN(C(C(C4=CC=CC=C4)C5=CC=CC=C5)=O)[C@H](C(O)=O)C3)=CC=C2OC

Canonical SMILES

O=C(O)C1N(C(=O)C(C=2C=CC=CC2)C=3C=CC=CC3)CC4=CC=C(OC)C(OCC=5C=CC=CC5)=C4C1

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, 2-(2,2-diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-, (3S)-
  • (3S)-2-(2,2-Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid
  • Olodanrigan
  • EMA 401
  • (S)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid

Deleted or Replaced CAS Registry Numbers

1629084-42-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration