| SpectraBase Spectrum ID |
9kqsEJe0flI |
| Name |
2-Propenoic acid, 3-[4-[3-[[9-[[-3-[4-[-3-ethoxy-3-oxo-1-propen-1-yl]phenyl]-1-oxo-2-propen-1-yl]amino]nonyl]amino]-3-oxo-1-propen-1-yl]phenyl]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
614.335587203 u |
| Formula |
C37H46N2O6 |
| InChI |
InChI=1S/C37H46N2O6/c1-3-44-36(42)26-22-32-16-12-30(13-17-32)20-24-34(40)38-28-10-8-6-5-7-9-11-29-39-35(41)25-21-31-14-18-33(19-15-31)23-27-37(43)45-4-2/h12-27H,3-11,28-29H2,1-2H3,(H,38,40)(H,39,41)/b24-20-,25-21+,26-22+,27-23+ |
| InChIKey |
OGWNZIHVJRLHHI-DZOZBGDOSA-N |
| Molecular Weight |
614.783 g/mol |
| SMILES |
CCOC(=O)\C=C\C1=CC=C(C=C1)\C=C\C(=O)NCCCCCCCCCNC(=O)\C=C/C1=CC=C(C=C1)\C=C\C(=O)OCC |
![2-Propenoic acid, 3-[4-[3-[[9-[[-3-[4-[-3-ethoxy-3-oxo-1-propen-1-yl]phenyl]-1-oxo-2-propen-1-yl]amino]nonyl]amino]-3-oxo-1-propen-1-yl]phenyl]-, ethyl ester](/api/spectrum/9kqsEJe0flI/structure.png?h=300&w=458 "2-Propenoic acid, 3-[4-[3-[[9-[[-3-[4-[-3-ethoxy-3-oxo-1-propen-1-yl]phenyl]-1-oxo-2-propen-1-yl]amino]nonyl]amino]-3-oxo-1-propen-1-yl]phenyl]-, ethyl ester")
