| SpectraBase Spectrum ID |
JkHDSfO0eUl |
| Name |
2-(3-Ethylidene-4-oxo-1,2,3,4,6,7,12,12B-octahydro-indolo[2,3-A]quinolizin-2-yl)-malonic acid dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.168521876 u |
| Formula |
C22H24N2O5 |
| InChI |
InChI=1S/C22H24N2O5/c1-4-12-15(18(21(26)28-2)22(27)29-3)11-17-19-14(9-10-24(17)20(12)25)13-7-5-6-8-16(13)23-19/h4-8,15,17-18,23H,9-11H2,1-3H3/b12-4+/t15-,17-/m0/s1 |
| InChIKey |
DTQDTPMEAWIAMP-CARUMRSHSA-N |
| Molecular Weight |
396.443 g/mol |
| SMILES |
C=12[C@]3(N(C(=O)\C([C@](C3)(C(C(=O)OC)C(=O)OC)[H])=C\C)CCC1C1=CC=CC=C1N2)[H] |
![2-(3-Ethylidene-4-oxo-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-malonic acid dimethyl ester](/api/spectrum/JkHDSfO0eUl/structure.png?h=300&w=458 "2-(3-Ethylidene-4-oxo-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-malonic acid dimethyl ester")
