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

Systemtic Name: methyl 2-butyl-3-[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[4-(2-cyano-5-methyl-1-pyrrolyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-(2-cyano-5-methylpyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-cyano-5-methyl-pyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=CC=CC(=C2N1C3=CC=C(C=C3)N4C(=CC=C4C#N)C)C(=O)OC)C

Isomeric SMILES

CCCCC1N(C2=CC=CC(=C2N1C3=CC=C(C=C3)N4C(=CC=C4C#N)C)C(=O)OC)C

InChI

InChI=1S/C26H28N4O2/c1-5-6-10-24-28(3)23-9-7-8-22(26(31)32-4)25(23)30(24)20-15-13-19(14-16-20)29-18(2)11-12-21(29)17-27/h7-9,11-16,24H,5-6,10H2,1-4H3