methyl 2-butyl-3-[(4-cyanophenyl)methyl]benzimidazole-5-carboxylate

Systemtic Name: methyl 2-butyl-3-[(4-cyanophenyl)methyl]benzimidazole-5-carboxylate Openeye Name: methyl 2-butyl-3-[(4-cyanophenyl)methyl]benzimidazole-5-carboxylate CAS Name: 2-butyl-3-[(4-cyanophenyl)methyl]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[(4-cyanophenyl)methyl]benzimidazole-5-carboxylate Traditional Name: 2-butyl-3-(4-cyanobenzyl)benzimidazole-5-carboxylic acid methyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C#N)C=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C#N)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H21N3O2/c1-3-4-5-20-23-18-11-10-17(21(25)26-2)12-19(18)24(20)14-16-8-6-15(13-22)7-9-16/h6-12H,3-5,14H2,1-2H3