2-[4-[(4-chlorophenyl)-cyano-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)-cyano-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[(4-chlorophenyl)-cyano-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(4-chlorophenyl)-cyanomethyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-[(4-chlorophenyl)-cyanomethyl]phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-[(4-chlorophenyl)-cyano-methyl]phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C22H14ClN3O2 MolecularWeight: 387.81846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)C(C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)C(C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H14ClN3O2/c23-17-8-5-14(6-9-17)18(12-24)13-1-3-15(4-2-13)21-25-19-10-7-16(22(27)28)11-20(19)26-21/h1-11,18H,(H,25,26)(H,27,28)