ethyl 3-[1-[4-(2-cyanophenyl)phenyl]butan-2-yloxy]benzimidazole-4-carboxylate

Systemtic Name: ethyl 3-[1-[4-(2-cyanophenyl)phenyl]butan-2-yloxy]benzimidazole-4-carboxylate Openeye Name: ethyl 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]propoxy]benzimidazole-4-carboxylate CAS Name: 3-[1-[4-(2-cyanophenyl)phenyl]butan-2-yloxy]-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-[4-(2-cyanophenyl)phenyl]butan-2-yloxy]benzimidazole-4-carboxylate Traditional Name: 3-[1-[4-(2-cyanophenyl)benzyl]propoxy]benzimidazole-4-carboxylic acid ethyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)ON3C=NC4=CC=CC(=C43)C(=O)OCC

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)ON3C=NC4=CC=CC(=C43)C(=O)OCC

InChI

InChI=1S/C27H25N3O3/c1-3-22(16-19-12-14-20(15-13-19)23-9-6-5-8-21(23)17-28)33-30-18-29-25-11-7-10-24(26(25)30)27(31)32-4-2/h5-15,18,22H,3-4,16H2,1-2H3