| SpectraBase Spectrum ID |
GZ9zjUChy1p |
| Name |
2-[1-[2-(5-Benzoxy-2-methyl-1H-indol-3-yl)ethylamino]butylidene]-5,5-dimethyl-cyclohexane-1,3-quinone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.272593024 u |
| Formula |
C30H36N2O3 |
| InChI |
InChI=1S/C30H36N2O3/c1-5-9-26(29-27(33)17-30(3,4)18-28(29)34)31-15-14-23-20(2)32-25-13-12-22(16-24(23)25)35-19-21-10-7-6-8-11-21/h6-8,10-13,16,31-32H,5,9,14-15,17-19H2,1-4H3 |
| InChIKey |
MRVSGPJWBKMVOK-UHFFFAOYSA-N |
| Molecular Weight |
472.629 g/mol |
| SMILES |
C1(C(CC(CC1=O)(C)C)=O)=C(NCCC1=C(NC2=C1C=C(OCC=1C=CC=CC1)C=C2)C)CCC |
![2-[1-[2-(5-benzoxy-2-methyl-1H-indol-3-yl)ethylamino]butylidene]-5,5-dimethyl-cyclohexane-1,3-quinone](/api/spectrum/GZ9zjUChy1p/structure.png?h=300&w=458 "2-[1-[2-(5-benzoxy-2-methyl-1H-indol-3-yl)ethylamino]butylidene]-5,5-dimethyl-cyclohexane-1,3-quinone")
