| SpectraBase Spectrum ID |
7BOKid2fFgz |
| Name |
1-[2-(4-Fluoroanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.184920833 u |
| Formula |
C22H25FN2O3 |
| InChI |
InChI=1S/C22H25FN2O3/c1-2-28-21(27)22(17-6-4-3-5-7-17)12-14-25(15-13-22)16-20(26)24-19-10-8-18(23)9-11-19/h3-11H,2,12-16H2,1H3,(H,24,26) |
| InChIKey |
VNWUWTPCMSKOPH-UHFFFAOYSA-N |
| Molecular Weight |
384.451 g/mol |
| SMILES |
C1(C(=O)OCC)(CCN(CC(NC=2C=CC(F)=CC2)=O)CC1)C1=CC=CC=C1 |
![1-[2-(4-Fluoroanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester](/api/spectrum/7BOKid2fFgz/structure.png?h=300&w=458 "1-[2-(4-Fluoroanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester")
