methyl 2-butyl-3-[[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-cyano-5-methyl-1-pyrrolyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-(2-cyano-5-methylpyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-cyano-5-methyl-pyrrol-1-yl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)N4C(=CC=C4C#N)C)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)N4C(=CC=C4C#N)C)C(=O)OC

InChI

InChI=1S/C26H26N4O2/c1-4-5-9-24-28-23-8-6-7-22(26(31)32-3)25(23)29(24)17-19-11-14-20(15-12-19)30-18(2)10-13-21(30)16-27/h6-8,10-15H,4-5,9,17H2,1-3H3