(3-cyano-4-phenyl-phenyl)methyl 2-(ethoxymethyl)-1H-benzimidazole-4-carboxylate

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-(ethoxymethyl)-1H-benzimidazole-4-carboxylate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-(ethoxymethyl)-1H-benzimidazole-4-carboxylate CAS Name: 2-(ethoxymethyl)-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-(ethoxymethyl)-1H-benzimidazole-4-carboxylate Traditional Name: 2-(ethoxymethyl)-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenyl-benzyl) ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H21N3O3/c1-2-30-16-23-27-22-10-6-9-21(24(22)28-23)25(29)31-15-17-11-12-20(19(13-17)14-26)18-7-4-3-5-8-18/h3-13H,2,15-16H2,1H3,(H,27,28)