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

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-pentyl-1H-benzimidazole-4-carboxylate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-pentyl-1H-benzimidazole-4-carboxylate CAS Name: 2-pentyl-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-pentyl-1H-benzimidazole-4-carboxylate Traditional Name: 2-amyl-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenyl-benzyl) ester Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H25N3O2/c1-2-3-5-13-25-29-24-12-8-11-23(26(24)30-25)27(31)32-18-19-14-15-22(21(16-19)17-28)20-9-6-4-7-10-20/h4,6-12,14-16H,2-3,5,13,18H2,1H3,(H,29,30)