SpectraBase Spectrum ID |
51v3QgvYIHW |
Name |
4-(Methoxymethyl)-9-methyl-6-(1-naphthalenylmethoxy)-3-pyrido[3,4-B]indolecarboxylic acid ethyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
454.189257321 u |
Formula |
C28H26N2O4 |
InChI |
InChI=1S/C28H26N2O4/c1-4-33-28(31)27-23(17-32-3)26-22-14-20(12-13-24(22)30(2)25(26)15-29-27)34-16-19-10-7-9-18-8-5-6-11-21(18)19/h5-15H,4,16-17H2,1-3H3 |
InChIKey |
BOXRZPNLGLBATJ-UHFFFAOYSA-N |
Molecular Weight |
454.526 g/mol |
SMILES |
C1=NC(=C(C=2C=3C=C(C=CC3N(C12)C)OCC=1C=CC=C2C=CC=CC12)COC)C(=O)OCC |