methyl 2-butyl-1-[(4-cyanophenyl)methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-1-[(4-cyanophenyl)methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-1-[(4-cyanophenyl)methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-1-[(4-cyanophenyl)methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-1-[(4-cyanophenyl)methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-1-(4-cyanobenzyl)benzimidazole-4-carboxylic acid methyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C21H21N3O2/c1-3-4-8-19-23-20-17(21(25)26-2)6-5-7-18(20)24(19)14-16-11-9-15(13-22)10-12-16/h5-7,9-12H,3-4,8,14H2,1-2H3