methyl 2-butyl-7-[[4-(2-cyanophenyl)-3-(hydroxymethyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-7-[[4-(2-cyanophenyl)-3-(hydroxymethyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-7-[[4-(2-cyanophenyl)-3-(hydroxymethyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate CAS Name: 2-butyl-7-[[4-(2-cyanophenyl)-3-(hydroxymethyl)phenyl]methyl]-3H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-7-[[4-(2-cyanophenyl)-3-(hydroxymethyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate Traditional Name: 2-butyl-7-[4-(2-cyanophenyl)-3-methylol-benzyl]-3H-benzimidazole-4-carboxylic acid methyl ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1)C(=O)OC)CC3=CC(=C(C=C3)C4=CC=CC=C4C#N)CO

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1)C(=O)OC)CC3=CC(=C(C=C3)C4=CC=CC=C4C#N)CO

InChI

InChI=1S/C28H27N3O3/c1-3-4-9-25-30-26-19(11-13-24(27(26)31-25)28(33)34-2)14-18-10-12-23(21(15-18)17-32)22-8-6-5-7-20(22)16-29/h5-8,10-13,15,32H,3-4,9,14,17H2,1-2H3,(H,30,31)