| SpectraBase Spectrum ID |
Ksom4wWMlYS |
| Name |
1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3-[3-(1H-imidazol-1-yl)-3-oxopropyl]-4-methyl-, 1,1-dimethylethyl ester, (Z)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.226705458 u |
| Formula |
C24H30N4O4 |
| InChI |
InChI=1S/C24H30N4O4/c1-7-16-15(3)22(30)27-19(16)12-18-14(2)17(8-9-20(29)28-11-10-25-13-28)21(26-18)23(31)32-24(4,5)6/h10-13,26H,7-9H2,1-6H3,(H,27,30)/b19-12- |
| InChIKey |
DITMQVCKJWYFNR-UNOMPAQXSA-N |
| Molecular Weight |
438.528 g/mol |
| SMILES |
C=1(NC(\C=C\2NC(=O)C(=C2CC)C)=C(C1CCC(N1C=NC=C1)=O)C)C(OC(C)(C)C)=O |
![1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3-[3-(1H-imidazol-1-yl)-3-oxopropyl]-4-methyl-, 1,1-dimethylethyl ester, (Z)-](/api/spectrum/Ksom4wWMlYS/structure.png?h=300&w=458 "1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3-[3-(1H-imidazol-1-yl)-3-oxopropyl]-4-methyl-, 1,1-dimethylethyl ester, (Z)-")
