| SpectraBase Spectrum ID |
DwRcOJZdmR0 |
| Name |
2-[1-[2-(1-Besylindol-3-yl)ethyl]-5-ethyl-3,4-dihydro-2H-pyridin-4-yl]malonic acid dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
524.198107926 u |
| Formula |
C28H32N2O6S |
| InChI |
InChI=1S/C28H32N2O6S/c1-4-20-18-29(17-15-24(20)26(27(31)35-2)28(32)36-3)16-14-21-19-30(25-13-9-8-12-23(21)25)37(33,34)22-10-6-5-7-11-22/h5-13,18-19,24,26H,4,14-17H2,1-3H3 |
| InChIKey |
TVHVPZNENLPGFP-UHFFFAOYSA-N |
| Molecular Weight |
524.632 g/mol |
| SMILES |
C=1N(S(=O)(=O)C2=CC=CC=C2)C2=C(C1CCN1C=C(CC)C(C(C(=O)OC)C(=O)OC)CC1)C=CC=C2 |
![2-[1-[2-(1-besylindol-3-yl)ethyl]-5-ethyl-3,4-dihydro-2H-pyridin-4-yl]malonic acid dimethyl ester](/api/spectrum/DwRcOJZdmR0/structure.png?h=300&w=458 "2-[1-[2-(1-besylindol-3-yl)ethyl]-5-ethyl-3,4-dihydro-2H-pyridin-4-yl]malonic acid dimethyl ester")
