3-{[2-(4-Methoxyphenoxy)-5-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylic acid

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Systematic / IUPAC Name: 3-{[2-(4-Methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl}-2-pyrazinecarboxylic acid

ID: Reference5666

Other Names: 2-Pyrazinecarboxylic acid, 3-({[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]amino}carbonyl)- ;
3-{[2-(4-Methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid

Formula: C20H14F3N3O5

Spectral Data

3-{[2-(4-Methoxyphenoxy)-5-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/21/2016 10:20:54 AM
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Identificators

InChI InChI=1S/C20H14F3N3O5/c1-30-12-3-5-13(6-4-12)31-15-7-2-11(20(21,22)23)10-14(15)26-18(27)16-17(19(28)29)25-9-8-24-16/h2-10H,1H3,(H,26,27)(H,28,29)
InChI Key BGGFSPWZTMVHBL-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NC=CN=C3C(=O)O
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Other Names 2-Pyrazinecarboxylic acid, 3-({[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]amino}carbonyl)- ;
3-{[2-(4-Methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid

In Other Databases

PubChem 2811387
ChemSpider 2089799