Methyl (αZ,βS,1S)-β-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-α-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate

CAS Registry Number®

73168-54-4
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CAS Name

Methyl (αZ,βS,1S)-β-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-α-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate

Molecular Formula

C21H24N2O4

Molecular Mass

368.43

Cite this Page

Methyl (αZ,βS,1S)-β-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-α-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85955-83-5 (retrieved 2024-09-19) (CAS RN: 73168-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24N2O4/c1-3-13(11-24)16(17(12-25)21(26)27-2)10-19-20-15(8-9-22-19)14-6-4-5-7-18(14)23-20/h3-7,11-13,16,19,22-23,25H,1,8-10H2,2H3

InChIKey

InChIKey=ZNZYKNKBJPZETN-UHFFFAOYSA-N

SMILES

C(C(C(C(OC)=O)=CO)C(C=C)C=O)C1C2=C(C=3C(N2)=CC=CC3)CCN1

Canonical SMILES

O=CC(C=C)C(C(=CO)C(=O)OC)CC1NCCC=2C=3C=CC=CC3NC21

Other Names for this Substance

  • 1H-Pyrido[3,4-b]indole-1-butanoic acid, β-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-α-(hydroxymethylene)-, methyl ester, (αZ,βS,1S)-
  • 1H-Pyrido[3,4-b]indole-1-butanoic acid, β-(1-formyl-2-propenyl)-2,3,4,9-tetrahydro-α-(hydroxymethylene)-, methyl ester, [1S-[1R*[βR*(Z),β(S*)]]]-
  • 1H-Pyrido[3,4-b]indole-1-butanoic acid, β-[(1R)-1-formyl-2-propenyl]-2,3,4,9-tetrahydro-α-(hydroxymethylene)-, methyl ester, (αZ,βS,1S)-
  • Methyl (αZ,βS,1S)-β-(1-formyl-2-propen-1-yl)-2,3,4,9-tetrahydro-α-(hydroxymethylene)-1H-pyrido[3,4-b]indole-1-butanoate

Deleted or Replaced CAS Registry Numbers

85955-83-5