Cinmetacin

CAS Registry Number®

20168-99-4

CAS Name

Cinmetacin

Molecular Formula

C21H19NO4

Molecular Mass

349.38

Cite this Page

Cinmetacin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20168-99-4 (retrieved 2024-11-23) (CAS RN: 20168-99-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)

InChIKey

InChIKey=NKPPORKKCMYYTO-UHFFFAOYSA-N

SMILES

C(C(O)=O)C=1C=2C(N(C(C=CC3=CC=CC=C3)=O)C1C)=CC=C(OC)C2

Canonical SMILES

O=C(O)CC=1C=2C=C(OC)C=CC2N(C(=O)C=CC=3C=CC=CC3)C1C

Other Names for this Substance

  • 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)-
  • Indole-3-acetic acid, 1-cinnamoyl-5-methoxy-2-methyl-
  • 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propenyl)-
  • 5-Methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)-1H-indole-3-acetic acid
  • 1-Cinnamoyl-2-methyl-5-methoxyindolyl-3-acetic acid

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