| SpectraBase Spectrum ID |
GbwuzIVjE39 |
| Name |
4-[3-[4-(2-Fluorobenzoyl)piperazino]-2,5-diketo-pyrrolidino]benzoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.154348978 u |
| Formula |
C23H22FN3O5 |
| InChI |
InChI=1S/C23H22FN3O5/c1-32-23(31)15-6-8-16(9-7-15)27-20(28)14-19(22(27)30)25-10-12-26(13-11-25)21(29)17-4-2-3-5-18(17)24/h2-9,19H,10-14H2,1H3 |
| InChIKey |
QUBHDTQOYOVDHK-UHFFFAOYSA-N |
| Molecular Weight |
439.443 g/mol |
| SMILES |
C1=CC=C(C(N2CCN(C3C(N(C(C3)=O)C3=CC=C(C(=O)OC)C=C3)=O)CC2)=O)C(F)=C1 |
![4-[3-[4-(2-Fluorobenzoyl)piperazino]-2,5-diketo-pyrrolidino]benzoic acid methyl ester](/api/spectrum/GbwuzIVjE39/structure.png?h=300&w=458 "4-[3-[4-(2-Fluorobenzoyl)piperazino]-2,5-diketo-pyrrolidino]benzoic acid methyl ester")
