Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-{[(methylamino)carbonyl]amino}phenyl)propanoate

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Systematic / IUPAC Name: Ethyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methylcarbamoyl)amino]phenyl}propanoate

ID: Reference6094

Other Names: Benzeneacetic acid, α-hydroxy-4-{[(methylamino)carbonyl]amino}-α-(trifluoromethyl)-, ethyl ester ;
Ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methylcarbamoylamino)phenyl]propanoate

Formula: C13H15F3N2O4

Spectral Data

Ethyl 3,3,3-trifluoro-2-hydroxy-2-(4-{[(methylamino)carbonyl]amino}phenyl)propanoate 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/25/2016 8:33:56 AM
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Identificators

InChI InChI=1S/C13H15F3N2O4/c1-3-22-10(19)12(21,13(14,15)16)8-4-6-9(7-5-8)18-11(20)17-2/h4-7,21H,3H2,1-2H3,(H2,17,18,20)
InChI Key YXSRHMQVPZUUSH-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C(C1=CC=C(C=C1)NC(=O)NC)(C(F)(F)F)O
CAS
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Other Names Benzeneacetic acid, α-hydroxy-4-{[(methylamino)carbonyl]amino}-α-(trifluoromethyl)-, ethyl ester ;
Ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methylcarbamoylamino)phenyl]propanoate

In Other Databases

ChEMBL CHEMBL1711076
PubChem 2817827
ChemSpider 2096115