| SpectraBase Spectrum ID |
DIEoDLe09jd |
| Name |
Ethyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
553.146386129 u |
| Formula |
C29H32BrNO5 |
| InChI |
InChI=1S/C29H32BrNO5/c1-6-35-28(33)25-17(2)31-21-14-29(3,4)15-22(32)27(21)26(25)18-11-12-23(34-5)19(13-18)16-36-24-10-8-7-9-20(24)30/h7-13,26,31H,6,14-16H2,1-5H3 |
| InChIKey |
WKNBGAOVJCFZIZ-UHFFFAOYSA-N |
| Molecular Weight |
554.481 g/mol |
| SMILES |
N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C=1C=C(COC2=C(Br)C=CC=C2)C(=CC1)OC)C(=O)OCC)C |
![Ethyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate](/api/spectrum/DIEoDLe09jd/structure.png?h=300&w=458 "Ethyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate")
