3-[(2-cyanophenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[(2-cyanophenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(2-cyanophenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(2-cyanophenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2-cyanophenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(2-cyanobenzyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3C#N)C=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3C#N)C=C(C=C2)C(=O)O

InChI

InChI=1S/C17H13N3O2/c1-11-19-15-7-6-12(17(21)22)8-16(15)20(11)10-14-5-3-2-4-13(14)9-18/h2-8H,10H2,1H3,(H,21,22)