| SpectraBase Spectrum ID |
1Ir2MmyDZen |
| Name |
Benzyl 2-{ 4'-( 5''-chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-phenylpropionate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
531.156098644 u |
| Formula |
C29H26ClN3O5 |
| InChI |
InChI=1S/C29H26ClN3O5/c30-25-16-31-29(36)33(17-25)20-37-18-23-11-13-24(14-12-23)27(34)32-26(15-21-7-3-1-4-8-21)28(35)38-19-22-9-5-2-6-10-22/h1-14,16-17,26H,15,18-20H2,(H,32,34) |
| InChIKey |
UTUIEZNWYQKIQO-UHFFFAOYSA-N |
| Molecular Weight |
531.996 g/mol |
| SMILES |
C1(N(C=C(C=N1)Cl)COCC1=CC=C(C(NC(C(OCC=2C=CC=CC2)=O)CC2=CC=CC=C2)=O)C=C1)=O |
![Benzyl 2-{ 4'-( 5''-chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-phenylpropionate](/api/spectrum/1Ir2MmyDZen/structure.png?h=300&w=458 "Benzyl 2-{ 4'-( 5''-chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-phenylpropionate")
