ethyl 2-(chloromethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: ethyl 2-(chloromethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: ethyl 2-(chloromethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-(chloromethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(chloromethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-(chloromethyl)-3-[4-(2-cyanophenyl)benzyl]benzimidazole-4-carboxylic acid ethyl ester Formula: C25H20ClN3O2 MolecularWeight: 429.8982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CCl

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CCl

InChI

InChI=1S/C25H20ClN3O2/c1-2-31-25(30)21-8-5-9-22-24(21)29(23(14-26)28-22)16-17-10-12-18(13-11-17)20-7-4-3-6-19(20)15-27/h3-13H,2,14,16H2,1H3