| SpectraBase Spectrum ID |
IIa913j18v7 |
| Name |
4H-Pyrazole-3-acetic acid, 4-[1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene]-1,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.148120783 u |
| Formula |
C22H21N3O5 |
| InChI |
InChI=1S/C22H21N3O5/c1-14(23-12-15-8-9-18-19(10-15)30-13-29-18)21-17(11-20(26)28-2)24-25(22(21)27)16-6-4-3-5-7-16/h3-10,23H,11-13H2,1-2H3/b21-14- |
| InChIKey |
HDBDAVKNTHEOEJ-STZFKDTASA-N |
| Molecular Weight |
407.426 g/mol |
| SMILES |
C1OC=2C=C(CN\C(=C/3C(N(C4=CC=CC=C4)N=C3CC(OC)=O)=O)C)C=CC2O1 |
![4H-Pyrazole-3-acetic acid, 4-[1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene]-1,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4S)-](/api/spectrum/IIa913j18v7/structure.png?h=300&w=458 "4H-Pyrazole-3-acetic acid, 4-[1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene]-1,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4S)-")
