| SpectraBase Spectrum ID |
4lcZPTeFrJ8 |
| Name |
4-[2-[[2-(2-Methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.195070976 u |
| Formula |
C23H27N3O5 |
| InChI |
InChI=1S/C23H27N3O5/c1-3-30-23(29)26-14-12-25(13-15-26)22(28)18-9-5-6-10-19(18)24-21(27)16-31-20-11-7-4-8-17(20)2/h4-11H,3,12-16H2,1-2H3,(H,24,27) |
| InChIKey |
MNYIBWQTKOAZSX-UHFFFAOYSA-N |
| Molecular Weight |
425.485 g/mol |
| SMILES |
C(C1=C(NC(=O)COC2=C(C)C=CC=C2)C=CC=C1)(N1CCN(CC1)C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924241 |
![4-[2-[[2-(2-Methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylic acid ethyl ester](/api/spectrum/4lcZPTeFrJ8/structure.png?h=300&w=458 "4-[2-[[2-(2-Methylphenoxy)acetyl]amino]benzoyl]piperazine-1-carboxylic acid ethyl ester")
