SpectraBase Spectrum ID |
JEgnEsf6pf7 |
Name |
N-Carboxybutyl-4-(4-methylphenyl)-3-morpholinopyrrol-2-carboxylic acid, ethyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
414.215472069 u |
Formula |
C23H30N2O5 |
InChI |
InChI=1S/C23H30N2O5/c1-4-6-13-30-23(27)25-16-19(18-9-7-17(3)8-10-18)20(21(25)22(26)29-5-2)24-11-14-28-15-12-24/h7-10,16H,4-6,11-15H2,1-3H3 |
InChIKey |
FFMCZTRKWHSXCM-UHFFFAOYSA-N |
Molecular Weight |
414.502 g/mol |
SMILES |
C=1N(C(C(OCC)=O)=C(C1C1=CC=C(C=C1)C)N1CCOCC1)C(OCCCC)=O |