| SpectraBase Spectrum ID |
1WbnJ8gjui |
| Name |
1,3-Cyclobutanedicarboxylic acid, 1-cyano-2-[4-(2-cyano-3-ethoxy-3-oxo-1-propenyl)phenyl]-4-[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-ethyl 3-(1-methylpropyl) ester, [1S-[1.alpha.,2.alpha.(E),3.beta.(R*),4.beta.[E(R*)]]]- |
| Alternate Name(s) |
3-sec-butyl 1-ethyl (1S,2S,3S,4S)-1-cyano-2-{4-[(1E)-2-cyano-3-ethoxy-3-oxo-1-propenyl]phenyl}-4-[4-((1E)-3-{[(1S)-1-methylpropyl]oxy}-3-oxo-1-propenyl)phenyl]-1,3-cyclobutanedicarboxylate
Ethyl 1-cyano-3-sec-butyoxy carbonyl -3-(p-sec-butyl-3'-(E)-propenoate)phenyl-4-(p-ethyl-2-cyano-(E)-propenoate)phenylcyclobutanoate |
| CAS Registry Number |
66965-62-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C38H42N2O8 |
| InChI |
InChI=1S/C38H42N2O8/c1-7-24(5)47-31(41)20-15-26-11-16-28(17-12-26)33-32(36(43)48-25(6)8-2)34(38(33,23-40)37(44)46-10-4)29-18-13-27(14-19-29)21-30(22-39)35(42)45-9-3/h11-21,24-25,32-34H,7-10H2,1-6H3/b20-15+,30-21+/t24-,25?,32-,33+,34+,38-/m0/s1 |
| InChIKey |
IWFAWGKCCAEJEV-BSRJQLTFSA-N |
| Molecular Weight |
654.760 g/mol |
| SMILES |
[C@@]1([C@](c2ccc(\C=C\(C(=O)OCC)C#N)cc2)([C@]([C@]1(c1ccc(\C=C\C(=O)O[C@](CC)(C)[H])cc1)[H])(C(OC(CC)C)=O)[H])[H])(C(=O)OCC)C#N |
| SPLASH |
splash10-0059-0009000000-cacf7020dc4f344040de |
| Source of Spectrum |
C-100-2843-0 |
| Wiley ID |
1413303 |
![1,3-Cyclobutanedicarboxylic acid, 1-cyano-2-[4-(2-cyano-3-ethoxy-3-oxo-1-propenyl)phenyl]-4-[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-ethyl 3-(1-methylpropyl) ester, [1S-[1.alpha.,2.alpha.(E),3.beta.(R*),4.beta.[E(R*)]]]-](/api/spectrum/1WbnJ8gjui/structure.png?h=300&w=458 "1,3-Cyclobutanedicarboxylic acid, 1-cyano-2-[4-(2-cyano-3-ethoxy-3-oxo-1-propenyl)phenyl]-4-[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-ethyl 3-(1-methylpropyl) ester, [1S-[1.alpha.,2.alpha.(E),3.beta.(R*),4.beta.[E(R*)]]]-")
