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Benzeneacetic acid, 4-fluoro-.alpha.-[[[(4-methyl-2-pyridinyl)amino]carbonyl]amino]-.alpha.-(trifluoromethyl)-, ethyl ester

View entire compound with spectra: 1 MS (GC)

Benzeneacetic acid, 4-fluoro-.alpha.-[[[(4-methyl-2-pyridinyl)amino]carbonyl]amino]-.alpha.-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID FDcAbt38KNT
InChI InChI=1S/C18H17F4N3O3/c1-3-28-15(26)17(18(20,21)22,12-4-6-13(19)7-5-12)25-16(27)24-14-10-11(2)8-9-23-14/h4-10H,3H2,1-2H3,(H2,23,24,25,27)
InChIKey GRYIXJLWVPRTNL-UHFFFAOYSA-N
Mol Weight 399.35 g/mol
Molecular Formula C18H17F4N3O3
Exact Mass 399.120604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38sMrebvvM
Name Benzeneacetic acid, 4-fluoro-.alpha.-[[[(4-methyl-2-pyridinyl)amino]carbonyl]amino]-.alpha.-(trifluoromethyl)-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F4N3O3
InChI InChI=1S/C18H17F4N3O3/c1-3-28-15(26)17(18(20,21)22,12-4-6-13(19)7-5-12)25-16(27)24-14-10-11(2)8-9-23-14/h4-10H,3H2,1-2H3,(H2,23,24,25,27)
InChIKey GRYIXJLWVPRTNL-UHFFFAOYSA-N
Molecular Weight 399.346 g/mol
SMILES N(C(=O)NC(c1ccc(cc1)F)(C(OCC)=O)C(F)(F)F)c1cc(ccn1)C
SPLASH splash10-0a5i-6901000000-db842c198aee59dc968a
Source of Spectrum IY-2-5026-5
Synonyms Ethyl 3,3,3-trifluoro-2-(4-fluorophenyl)-2-{[(4-methylpyridin-2-yl)carbamoyl]amino}propanoate 3,3,3-trifluoro-2-(4-fluorophenyl)-2-[[[(4-methyl-2-pyridinyl)amino]-oxomethyl]amino]propanoic acid ethyl ester Ethyl 3,3,3-trifluoro-2-(4-fluorophenyl)-2-[(4-methylpyridin-2-yl)carbamoylamino]propanoate Ethyl 3,3,3-trifluoro-2-(4-fluorophenyl)-2-[(4-methyl-2-pyridyl)carbamoylamino]propanoate Ethyl 3,3,3-tris(fluoranyl)-2-(4-fluorophenyl)-2-[(4-methylpyridin-2-yl)carbamoylamino]propanoate
Wiley ID 1658248