1-[(3-cyanophenyl)methyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]benzimidazole-5-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]benzimidazole-5-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)benzimidazole-5-carboxylic acid Formula: C16H11N3O2 MolecularWeight: 277.27744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC3=C2C=CC(=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC3=C2C=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C16H11N3O2/c17-8-11-2-1-3-12(6-11)9-19-10-18-14-7-13(16(20)21)4-5-15(14)19/h1-7,10H,9H2,(H,20,21)