1-(Phenylmethyl)-1H-indole-3-propanoic acid

CAS Registry Number®

141071-79-6
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CAS Name

1-(Phenylmethyl)-1H-indole-3-propanoic acid

Molecular Formula

C18H17NO2

Molecular Mass

279.33

Cite this Page

1-(Phenylmethyl)-1H-indole-3-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=141071-79-6 (retrieved 2024-06-16) (CAS RN: 141071-79-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H17NO2/c20-18(21)11-10-15-13-19(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13H,10-12H2,(H,20,21)

InChIKey

InChIKey=QTUJYJWSZIVMMF-UHFFFAOYSA-N

SMILES

C(N1C=2C(C(CCC(O)=O)=C1)=CC=CC2)C3=CC=CC=C3

Canonical SMILES

O=C(O)CCC1=CN(C=2C=CC=CC21)CC=3C=CC=CC3

Other Names for this Substance

  • 1H-Indole-3-propanoic acid, 1-(phenylmethyl)-
  • 1-(Phenylmethyl)-1H-indole-3-propanoic acid
  • 1-Benzylindole-3-propionic acid
  • 3-(1-Benzyl-1H-indol-3-yl)propanoic acid

Deleted or Replaced CAS Registry Numbers

1983145-59-0

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