| SpectraBase Spectrum ID |
IjewrRPqEuK |
| Name |
[5-(5-Chloro-3,4-dimethyl-1H-pyrrol-2-ylmethylene)-3,4-dimethyl-5H-pyrrol-2-yl]-[5-(5-cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylene]-acetic acid, tert.-butyl ester |
| Alternate Name(s) |
tert-Butyl (2E)-((2Z)-2-[(5-chloro-3,4-dimethyl-1H-pyrrol-2-yl)methylene]-3,4-dimethyl-2H-pyrrol-5-yl)((5Z)-5-[(2-cyano-2,3,3-trimethyl-3,4-dihydro-2H-pyrrol-5-yl)methylene]-4,4-dimethylpyrrolidinylid |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H44ClN5O2 |
| InChI |
InChI=1S/C34H44ClN5O2/c1-18-20(3)28(38-23(18)14-24-19(2)21(4)29(35)39-24)27(30(41)42-31(5,6)7)25-16-32(8,9)26(37-25)13-22-15-33(10,11)34(12,17-36)40-22/h13-14,37,39H,15-16H2,1-12H3/b23-14-,26-13-,27-25+ |
| InChIKey |
FXDUIVFWOIZHNP-XUTHQOEUSA-N |
| Molecular Weight |
590.212 g/mol |
| SMILES |
[nH]1c(c(c(c1\C=C\1C(=C(C(\C(=C/2N\C(C(C2)(C)C)=C/C2=NC(C#N)(C(C2)(C)C)C)C(OC(C)(C)C)=O)=N1)C)C)C)C)Cl |
| SPLASH |
splash10-03dr-2022920000-8d5e1df48ff0e689d52e |
| Wiley ID |
1484423 |
![[5-(5-Chloro-3,4-dimethyl-1H-pyrrol-2-ylmethylene)-3,4-dimethyl-5H-pyrrol-2-yl]-[5-(5-cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylene]-acetic acid, tert.-butyl ester](/api/spectrum/IjewrRPqEuK/structure.png?h=300&w=458 "[5-(5-Chloro-3,4-dimethyl-1H-pyrrol-2-ylmethylene)-3,4-dimethyl-5H-pyrrol-2-yl]-[5-(5-cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylene]-acetic acid, tert.-butyl ester")
