| SpectraBase Spectrum ID |
4HYpsqsztdH |
| Name |
1H-Pyrrole-3-propanoic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-, [4-[2-[4-(chloromethyl)phenyl]ethyl]phenyl]methyl ester, (Z)- |
| Alternate Name(s) |
4-[(2-(4-chloromethylphenyl)ethyl]benzyl 3-{5-[(3-ethyl-4-methyl-5-oxo-3-pyrrolin-2-ylidene)methyl]-2,3-dimethyl-3-pyrrolyl}propionate
4-{2-[4-(chloromethyl)phenyl]ethyl}benzyl 3-{5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}propanoate |
| CAS Registry Number |
114605-23-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H37ClN2O3 |
| InChI |
InChI=1S/C33H37ClN2O3/c1-5-28-22(3)33(38)36-31(28)18-30-21(2)29(23(4)35-30)16-17-32(37)39-20-27-14-10-25(11-15-27)7-6-24-8-12-26(19-34)13-9-24/h8-15,18,35H,5-7,16-17,19-20H2,1-4H3,(H,36,38)/b31-18- |
| InChIKey |
SZBQVOBQVBVUMR-MNBJERMJSA-N |
| Molecular Weight |
545.123 g/mol |
| SMILES |
N1C(C(=C(\C1=C/c1[nH]c(c(c1C)CCC(=O)OCc1ccc(cc1)CCc1ccc(cc1)CCl)C)CC)C)=O |
| SPLASH |
splash10-03di-9210000000-5a98d8a625805a88b1eb |
| Source of Spectrum |
AH-118-980-4 |
| Wiley ID |
1405093 |
![1H-Pyrrole-3-propanoic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-, [4-[2-[4-(chloromethyl)phenyl]ethyl]phenyl]methyl ester, (Z)-](/api/spectrum/4HYpsqsztdH/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-, [4-[2-[4-(chloromethyl)phenyl]ethyl]phenyl]methyl ester, (Z)-")
