| SpectraBase Spectrum ID |
1PInU48rzF9 |
| Name |
Ethyl 2-({4-[2-(ethoxycarbonyl)anilino]-4-oxobutanoyl}amino)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.163436495 u |
| Formula |
C22H24N2O6 |
| InChI |
InChI=1S/C22H24N2O6/c1-3-29-21(27)15-9-5-7-11-17(15)23-19(25)13-14-20(26)24-18-12-8-6-10-16(18)22(28)30-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)(H,24,26) |
| InChIKey |
DSGZVMZYGULHOC-UHFFFAOYSA-N |
| Molecular Weight |
412.442 g/mol |
| SMILES |
N(C=1C(C(=O)OCC)=CC=CC1)C(CCC(NC=1C(C(=O)OCC)=CC=CC1)=O)=O |
![Ethyl 2-({4-[2-(ethoxycarbonyl)anilino]-4-oxobutanoyl}amino)benzoate](/api/spectrum/1PInU48rzF9/structure.png?h=300&w=458 "Ethyl 2-({4-[2-(ethoxycarbonyl)anilino]-4-oxobutanoyl}amino)benzoate")
