methyl 2-butyl-3-[[4-(2-cyano-1-benzofuran-3-yl)phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[4-(2-cyano-1-benzofuran-3-yl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-(2-cyanobenzofuran-3-yl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-cyano-3-benzofuranyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-(2-cyano-1-benzofuran-3-yl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-cyanobenzofuran-3-yl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)C#N)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)C#N)C(=O)OC

InChI

InChI=1S/C29H25N3O3/c1-3-4-12-26-31-23-10-7-9-22(29(33)34-2)28(23)32(26)18-19-13-15-20(16-14-19)27-21-8-5-6-11-24(21)35-25(27)17-30/h5-11,13-16H,3-4,12,18H2,1-2H3