ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propoxy-benzimidazole-4-carboxylate

Systemtic Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propoxy-benzimidazole-4-carboxylate Openeye Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propoxy-benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propoxy-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propoxybenzimidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-2-propoxy-benzimidazole-4-carboxylic acid ethyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC

Isomeric SMILES

CCCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC

InChI

InChI=1S/C27H25N3O3/c1-3-16-33-27-29-24-11-7-10-23(26(31)32-4-2)25(24)30(27)18-19-12-14-20(15-13-19)22-9-6-5-8-21(22)17-28/h5-15H,3-4,16,18H2,1-2H3