| SpectraBase Spectrum ID |
4Z46mNca3ME |
| Name |
9,10-Methylenedioxy-3.alpha.-(2-cyanoethyl)-2-[(methoxycarbonyl)(cyano)methyl]benzo[a]quinolizidine |
| Alternate Name(s) |
Cyano-[(2S,3S,12bS)-3-(2-cyano-ethyl)-1,3,4,6,7,12b-hexahydro-2H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-2-yl]-acetic acid methyl ester
Methyl (2R)-[(2S,3S,12bS)-3-(2-cyanoethyl)-1,3,4,6,7,12b-hexahydro-2H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-2-yl](cyano)ethanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23N3O4 |
| InChI |
InChI=1S/C21H23N3O4/c1-26-21(25)17(10-23)15-8-18-16-9-20-19(27-12-28-20)7-13(16)4-6-24(18)11-14(15)3-2-5-22/h7,9,14-15,17-18H,2-4,6,8,11-12H2,1H3/t14-,15+,17?,18+/m1/s1 |
| InChIKey |
OIDJOYPDIKWSOW-COJCKYOVSA-N |
| Molecular Weight |
381.432 g/mol |
| SMILES |
[C@@]12(N(CCc3cc4OCOc4cc23)C[C@]([C@](C1)(C(C(=O)OC)C#N)[H])(CCC#N)[H])[H] |
| SPLASH |
splash10-001i-0596000000-7ce1a43324cc43985607 |
| Source of Spectrum |
H1-39-454-5 |
| Wiley ID |
756779 |
