1H-Indole-3-butanoic acid, methyl ester

CAS Registry Number®

15591-70-5

CAS Name

1H-Indole-3-butanoic acid, methyl ester

Molecular Formula

C13H15NO2

Molecular Mass

217.26

Cite this Page

1H-Indole-3-butanoic acid, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15591-70-5 (retrieved 2024-11-22) (CAS RN: 15591-70-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    73-74 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3

InChIKey

InChIKey=ZEJUFCOACOWDPP-UHFFFAOYSA-N

SMILES

C(CCC(OC)=O)C=1C=2C(NC1)=CC=CC2

Canonical SMILES

O=C(OC)CCCC1=CNC=2C=CC=CC21

Other Names for this Substance

  • 1H-Indole-3-butanoic acid, methyl ester
  • Indole-3-butyric acid, methyl ester
  • Methyl indole-3-butyrate
  • Methyl 4-(3-indolyl)butanoate
  • NSC 520394

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