SpectraBase Spectrum ID |
HESiTLF66ia |
Name |
4-{3-Benzyl-2,5-dioxo-4-[1-(4-trifluoromethylphenyl)ethyl]piperazin-1-yl}piperidine-1-carboxylic acid tert-butyl ester |
Alternate Name(s) |
tert-Butyl 4-(3-benzyl-2,5-dioxo-4-{1-[4-(trifluoromethyl)phenyl]ethyl}-1-piperazinyl)-1-piperidinecarboxylate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C30H36F3N3O4 |
InChI |
InChI=1S/C30H36F3N3O4/c1-20(22-10-12-23(13-11-22)30(31,32)33)36-25(18-21-8-6-5-7-9-21)27(38)35(19-26(36)37)24-14-16-34(17-15-24)28(39)40-29(2,3)4/h5-13,20,24-25H,14-19H2,1-4H3 |
InChIKey |
JQOFEHPJEFLCBN-UHFFFAOYSA-N |
Molecular Weight |
559.630 g/mol |
SMILES |
C1N(CCC(C1)N1C(C(N(C(C1)=O)C(C)c1ccc(cc1)C(F)(F)F)Cc1ccccc1)=O)C(=O)OC(C)(C)C |
SPLASH |
splash10-0089-9400100000-00535eb22901c3e3b120 |
Source of Spectrum |
KC-61-1285-7 |
Wiley ID |
1627516 |