2-[3-cyano-4-(2-methylpropoxy)phenyl]-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-(3-cyano-4-isobutoxy-phenyl)-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-(3-cyano-4-isobutoxy-phenyl)-1H-benzimidazole-4-carboxylic acid Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3N2)C(=O)O)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3N2)C(=O)O)C#N

InChI

InChI=1S/C19H17N3O3/c1-11(2)10-25-16-7-6-12(8-13(16)9-20)18-21-15-5-3-4-14(19(23)24)17(15)22-18/h3-8,11H,10H2,1-2H3,(H,21,22)(H,23,24)