[4-(2-cyanophenyl)phenyl]methyl 2-propyl-1H-benzimidazole-4-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2-propyl-1H-benzimidazole-4-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2-propyl-1H-benzimidazole-4-carboxylate CAS Name: 2-propyl-1H-benzimidazole-4-carboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2-propyl-1H-benzimidazole-4-carboxylate Traditional Name: 2-propyl-1H-benzimidazole-4-carboxylic acid [4-(2-cyanophenyl)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=C4C#N

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

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