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3,3,3-Trifluoro-2-(4-methyl-benzoylamino)-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
SpectraBase Compound ID EPIHHBclCEb
InChI InChI=1S/C18H18F3N3O3/c1-11-4-7-13(8-5-11)15(25)24-17(16(26)27-3,18(19,20)21)23-14-9-6-12(2)10-22-14/h4-10H,1-3H3,(H,22,23)(H,24,25)
InChIKey ROSLCISOGSLYBC-UHFFFAOYSA-N
Mol Weight 381.36 g/mol
Molecular Formula C18H18F3N3O3
Exact Mass 381.130026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 363TkiHmpUc
Name 3,3,3-Trifluoro-2-(4-methyl-benzoylamino)-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[(5-methyl-2-pyridyl)amino]-2-(p-toluoylamino)propionic acid methyl ester 3,3,3-trifluoro-2-[[(4-methylphenyl)-oxomethyl]amino]-2-[(5-methyl-2-pyridinyl)amino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[(4-methylbenzoyl)amino]-2-[(5-methyl-2-pyridinyl)amino]propanoate Methyl 3,3,3-trifluoro-2-[(4-methylbenzoyl)amino]-2-[(5-methyl-2-pyridyl)amino]propanoate Methyl 3,3,3-trifluoro-2-[(4-methylbenzoyl)amino]-2-[(5-methylpyridin-2-yl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(4-methylphenyl)carbonylamino]-2-[(5-methylpyridin-2-yl)amino]propanoate
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Formula C18H18F3N3O3
InChI InChI=1S/C18H18F3N3O3/c1-11-4-7-13(8-5-11)15(25)24-17(16(26)27-3,18(19,20)21)23-14-9-6-12(2)10-22-14/h4-10H,1-3H3,(H,22,23)(H,24,25)
InChIKey ROSLCISOGSLYBC-UHFFFAOYSA-N
Molecular Weight 381.355 g/mol
SMILES N(C(C(F)(F)F)(Nc1ncc(cc1)C)C(=O)OC)C(c1ccc(cc1)C)=O
SPLASH splash10-00xr-3509000000-c41d6f74a2f9d020e2a9
Wiley ID 1462802