SpectraBase Spectrum ID |
HmGkgdvY5oS |
Name |
Methyl 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
411.158291545 u |
Formula |
C25H21N3O3 |
InChI |
InChI=1S/C25H21N3O3/c1-3-31-25-27-22-10-6-9-21(24(29)30-2)23(22)28(25)16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14H,3,16H2,1-2H3 |
InChIKey |
KSXLHOFDCDKQLH-UHFFFAOYSA-N |
Molecular Weight |
411.461 g/mol |
SMILES |
C1=2N(C(=NC2C=CC=C1C(=O)OC)OCC)CC1=CC=C(C=C1)C1=C(C=CC=C1)C#N |