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1-[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]-4-phenyl-isonipecotic acid ethyl ester
SpectraBase Compound ID KSE407mb7vc
InChI InChI=1S/C23H25F3N2O4/c1-2-31-21(30)22(17-6-4-3-5-7-17)12-14-28(15-13-22)16-20(29)27-18-8-10-19(11-9-18)32-23(24,25)26/h3-11H,2,12-16H2,1H3,(H,27,29)
InChIKey ZEZCHMFRDUSUTB-UHFFFAOYSA-N
Mol Weight 450.46 g/mol
Molecular Formula C23H25F3N2O4
Exact Mass 450.176642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Yz0s8MF2Iv
Name 1-[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]-4-phenyl-isonipecotic acid ethyl ester
Alternate Name(s) 1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]-4-phenyl-piperidine-4-carboxylate Ethyl 1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-4-phenyl-piperidine-4-carboxylate
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Formula C23H25F3N2O4
InChI InChI=1S/C23H25F3N2O4/c1-2-31-21(30)22(17-6-4-3-5-7-17)12-14-28(15-13-22)16-20(29)27-18-8-10-19(11-9-18)32-23(24,25)26/h3-11H,2,12-16H2,1H3,(H,27,29)
InChIKey ZEZCHMFRDUSUTB-UHFFFAOYSA-N
Molecular Weight 450.458 g/mol
SMILES N(C(CN1CCC(C(=O)OCC)(CC1)c1ccccc1)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-0002-3590000000-e3ec96430229e2d2ebe1
Wiley ID 1443195