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3,3,3-Trifluoro-2-(2-methyl-benzoylamino)-2-(5-methyl-2-phenyl-2H-pyrazol-3-ylamino)-propionic acid methyl ester
SpectraBase Compound ID Ihw2WZpylDK
InChI InChI=1S/C22H21F3N4O3/c1-14-9-7-8-12-17(14)19(30)27-21(20(31)32-3,22(23,24)25)26-18-13-15(2)28-29(18)16-10-5-4-6-11-16/h4-13,26H,1-3H3,(H,27,30)
InChIKey ZCUQNTZQWRHZQZ-UHFFFAOYSA-N
Mol Weight 446.43 g/mol
Molecular Formula C22H21F3N4O3
Exact Mass 446.156575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgDJ2Or7quJ
Name 3,3,3-Trifluoro-2-(2-methyl-benzoylamino)-2-(5-methyl-2-phenyl-2H-pyrazol-3-ylamino)-propionic acid methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-(o-toluoylamino)propionic acid methyl ester 3,3,3-trifluoro-2-[[(2-methylphenyl)-oxomethyl]amino]-2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[(2-methylbenzoyl)amino]-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propanoate Methyl 3,3,3-trifluoro-2-[(2-methylbenzoyl)amino]-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(2-methylphenyl)carbonylamino]-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]propanoate
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Formula C22H21F3N4O3
InChI InChI=1S/C22H21F3N4O3/c1-14-9-7-8-12-17(14)19(30)27-21(20(31)32-3,22(23,24)25)26-18-13-15(2)28-29(18)16-10-5-4-6-11-16/h4-13,26H,1-3H3,(H,27,30)
InChIKey ZCUQNTZQWRHZQZ-UHFFFAOYSA-N
Molecular Weight 446.430 g/mol
SMILES N(c1[n](nc(c1)C)-c1ccccc1)C(NC(c1c(C)cccc1)=O)(C(F)(F)F)C(=O)OC
SPLASH splash10-0uxr-3960100000-afa0dd347bca9d43afc2
Wiley ID 1462466