| SpectraBase Spectrum ID |
CvLgnoQtdGI |
| Name |
Methyl 3-[(S)-.alpha.-methylbenzyl]-1,2,3,4,5.xi.,6-hexahydro-azepino[4,5-B]indole-5-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.183778019 u |
| Formula |
C22H24N2O2 |
| InChI |
InChI=1S/C22H24N2O2/c1-15(16-8-4-3-5-9-16)24-13-12-18-17-10-6-7-11-20(17)23-21(18)19(14-24)22(25)26-2/h3-11,15,19,23H,12-14H2,1-2H3/t15-,19?/m0/s1 |
| InChIKey |
ZMWOIQXLRHDIIA-FUKCDUGKSA-N |
| Molecular Weight |
348.446 g/mol |
| SMILES |
C=12C(CN([C@](C3=CC=CC=C3)(C)[H])CCC1C=1C=CC=CC1N2)C(=O)OC |
![Methyl 3-[(S)-.alpha.-methylbenzyl]-1,2,3,4,5.xi.,6-hexahydro-azepino[4,5-b]indole-5-carboxylate](/api/spectrum/CvLgnoQtdGI/structure.png?h=300&w=458 "Methyl 3-[(S)-.alpha.-methylbenzyl]-1,2,3,4,5.xi.,6-hexahydro-azepino[4,5-b]indole-5-carboxylate")
