1,1-Dimethylethyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate

CAS Registry Number®

914349-11-4
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CAS Name

1,1-Dimethylethyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate

Molecular Formula

C15H16N2O3

Molecular Mass

272.30

Cite this Page

1,1-Dimethylethyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=914349-11-4 (retrieved 2024-03-28) (CAS RN: 914349-11-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122-123 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H16N2O3/c1-15(2,3)20-14(19)17-8-11(9-18)12-6-10(7-16)4-5-13(12)17/h4-6,8,18H,9H2,1-3H3

InChIKey

InChIKey=CWAWIDMLDLCCNP-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=2C(C(CO)=C1)=CC(C#N)=CC2

Canonical SMILES

N#CC=1C=CC2=C(C1)C(=CN2C(=O)OC(C)(C)C)CO

Other Names for this Substance

  • 1H-Indole-1-carboxylic acid, 5-cyano-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate

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