ethyl 3-[(2-cyanophenyl)methyl]-2-propyl-benzimidazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=CC=C3C#N)C=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=CC=C3C#N)C=C(C=C2)C(=O)OCC

InChI

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