2-butyl-5-chloranyl-3-[[1-(2-cyanophenyl)benzimidazol-4-yl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-5-chloranyl-3-[[1-(2-cyanophenyl)benzimidazol-4-yl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-chloro-3-[[1-(2-cyanophenyl)benzimidazol-4-yl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-chloro-3-[[1-(2-cyanophenyl)-4-benzimidazolyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-chloro-3-[[1-(2-cyanophenyl)benzimidazol-4-yl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-chloro-3-[[1-(2-cyanophenyl)benzimidazol-4-yl]methyl]imidazole-4-carboxylic acid Formula: C23H20ClN5O2 MolecularWeight: 433.8902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C3C(=CC=C2)N(C=N3)C4=CC=CC=C4C#N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C3C(=CC=C2)N(C=N3)C4=CC=CC=C4C#N)C(=O)O)Cl

InChI

InChI=1S/C23H20ClN5O2/c1-2-3-11-19-27-22(24)21(23(30)31)28(19)13-16-8-6-10-18-20(16)26-14-29(18)17-9-5-4-7-15(17)12-25/h4-10,14H,2-3,11,13H2,1H3,(H,30,31)