Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

CAS Registry Number®

629652-44-4
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CAS Name

Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Molecular Formula

C22H19ClN2O5

Molecular Mass

426.85

Cite this Page

Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=629652-44-4 (retrieved 2024-04-29) (CAS RN: 629652-44-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21+/m0/s1

InChIKey

InChIKey=JUKHNCNDFOAFLT-HRAATJIYSA-N

SMILES

C(CCl)(=O)N1[C@@H](C2=C(C=3C(N2)=CC=CC3)C[C@H]1C(OC)=O)C=4C=C5C(=CC4)OCO5

Canonical SMILES

O=C(OC)C1N(C(=O)CCl)C(C2=CC=C3OCOC3=C2)C=4NC=5C=CC=CC5C4C1

Other Names for this Substance

  • 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3S)-
  • 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3S)-
  • Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

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