| SpectraBase Spectrum ID |
3zPF0jR2CG2 |
| Name |
4-((2-(1-(4-(Methoxycarbonyl)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)amino)benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.152871811 u |
| Formula |
C23H22N2O5 |
| InChI |
InChI=1S/C23H22N2O5/c1-14-12-20(21(26)13-24-18-8-4-16(5-9-18)22(27)28)15(2)25(14)19-10-6-17(7-11-19)23(29)30-3/h4-12,24H,13H2,1-3H3,(H,27,28) |
| InChIKey |
NLSXSZDSBWRWRT-UHFFFAOYSA-N |
| Molecular Weight |
406.438 g/mol |
| SMILES |
C(C1=CC=C(C=C1)NCC(=O)C1=C(N(C(C)=C1)C1=CC=C(C=C1)C(=O)OC)C)(=O)O |
