| SpectraBase Spectrum ID |
31T4KExHkak |
| Name |
1-[2-(1H-Indol-3-yl)ethyl]-4-phenyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.204907386 u |
| Formula |
C27H28N2O4 |
| InChI |
InChI=1S/C27H28N2O4/c1-3-32-26(30)22-17-29(15-14-20-16-28-24-13-9-8-12-21(20)24)18-23(27(31)33-4-2)25(22)19-10-6-5-7-11-19/h5-13,16-18,25,28H,3-4,14-15H2,1-2H3 |
| InChIKey |
RHFXFHZLFSMUCS-UHFFFAOYSA-N |
| Molecular Weight |
444.531 g/mol |
| SMILES |
C=1(C(C(C(=O)OCC)=CN(C1)CCC1=CNC2=C1C=CC=C2)C1=CC=CC=C1)C(=O)OCC |
![1-[2-(1H-indol-3-yl)ethyl]-4-phenyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester](/api/spectrum/31T4KExHkak/structure.png?h=300&w=458 "1-[2-(1H-indol-3-yl)ethyl]-4-phenyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester")
