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

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-propyl-1H-benzimidazole-4-carboxylate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-propyl-1H-benzimidazole-4-carboxylate CAS Name: 2-propyl-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-propyl-1H-benzimidazole-4-carboxylate Traditional Name: 2-propyl-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenyl-benzyl) ester Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H21N3O2/c1-2-7-23-27-22-11-6-10-21(24(22)28-23)25(29)30-16-17-12-13-20(19(14-17)15-26)18-8-4-3-5-9-18/h3-6,8-14H,2,7,16H2,1H3,(H,27,28)