Systematic / IUPAC Name: Diethyl [({2-[4-(ethoxycarbonyl)-1-piperidinyl]-5-(trifluoromethyl)phenyl}amino)methylene]malonate
ID: Reference6342
Other Names: Propanedioic acid, 2-[({2-[4-(ethoxycarbonyl)-1-piperidinyl]-5-(trifluoromethyl)phenyl}amino)methylene]-, diethyl ester
Formula: C23H29F3N2O6
Diethyl 2-{[2-[4-(ethoxycarbonyl)piperidino]-5-(trifluoromethyl)anilino]methylidene}malonate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
| 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 | 2/23/2017 4:39:54 PM |
| InChI | InChI=1S/C23H29F3N2O6/c1-4-32-20(29)15-9-11-28(12-10-15)19-8-7-16(23(24,25)26)13-18(19)27-14-17(21(30)33-5-2)22(31)34-6-3/h7-8,13-15,27H,4-6,9-12H2,1-3H3 |
| InChI Key | GQYCCTOENKXCCD-UHFFFAOYSA-N |
| Canonical SMILES | CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC=C(C(=O)OCC)C(=O)OCC |
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| Other Names | Propanedioic acid, 2-[({2-[4-(ethoxycarbonyl)-1-piperidinyl]-5-(trifluoromethyl)phenyl}amino)methylene]-, diethyl ester |