| SpectraBase Spectrum ID |
UpwcKoXZAa |
| Name |
1-{1'-{3'-[4""""'-(dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-[(tetrahydro-2H-pyran-2-yl)oxy]undecan-4-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
661.518243026 u |
| Formula |
C42H67N3O3 |
| InChI |
InChI=1S/C42H67N3O3/c46-42(25-13-5-3-1-2-4-6-18-33-48-40-26-34-47-35-27-40)41-24-14-16-31-45(41)32-19-29-43-28-15-17-30-44(36-38-20-9-7-10-21-38)37-39-22-11-8-12-23-39/h7-12,20-23,40-41,43H,1-6,13-19,24-37H2 |
| InChIKey |
MNVAZIXFIFLXSO-UHFFFAOYSA-N |
| Molecular Weight |
662.016 g/mol |
| SMILES |
C1(N(CCCC1)CCCNCCCCN(CC1=CC=CC=C1)CC1=CC=CC=C1)C(=O)CCCCCCCCCCOC1CCOCC1 |
![1-{1'-{3'-[4"'-(Dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-[(tetrahydro-2H-pyran-2-yl)oxy]undecan-4-one](/api/spectrum/UpwcKoXZAa/structure.png?h=300&w=458 "1-{1'-{3'-[4\"'-(Dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-[(tetrahydro-2H-pyran-2-yl)oxy]undecan-4-one")
