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

Systemtic Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-prop-2-enoxy-benzimidazole-4-carboxylate Openeye Name: methyl 2-allyloxy-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-prop-2-enoxy-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-prop-2-enoxybenzimidazole-4-carboxylate Traditional Name: 2-allyloxy-3-[4-(2-cyanophenyl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)OCC=C

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)OCC=C

InChI

InChI=1S/C26H21N3O3/c1-3-15-32-26-28-23-10-6-9-22(25(30)31-2)24(23)29(26)17-18-11-13-19(14-12-18)21-8-5-4-7-20(21)16-27/h3-14H,1,15,17H2,2H3