| SpectraBase Spectrum ID |
5qFaeWOW07a |
| Name |
Diethyl 2-{[3'-(2""""-amino)ethyl]-1H-indol-2'-yl}-malonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.210386688 u |
| Formula |
C22H30N2O6 |
| InChI |
InChI=1S/C22H30N2O6/c1-6-28-19(25)17(20(26)29-7-2)18-15(14-10-8-9-11-16(14)24-18)12-13-23-21(27)30-22(3,4)5/h8-11,17,24H,6-7,12-13H2,1-5H3,(H,23,27) |
| InChIKey |
MVUJFVGNWXWSHZ-UHFFFAOYSA-N |
| Molecular Weight |
418.490 g/mol |
| SMILES |
C=1(NC2=CC=CC=C2C1CCNC(OC(C)(C)C)=O)C(C(=O)OCC)C(=O)OCC |
![Diethyl 2-{[3'-(2""""-<T-butoxycarbonyl>amino)ethyl]-1H-indol-2'-yl}-malonate](/api/spectrum/5qFaeWOW07a/structure.png?h=300&w=458 "Diethyl 2-{[3'-(2\"\"\"\"-<T-butoxycarbonyl>amino)ethyl]-1H-indol-2'-yl}-malonate")
