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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

InChI

InChI=1S/C27H25N3O3/c1-3-4-16-33-27-29-24-11-7-10-23(26(31)32-2)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