2-[5-cyano-1-(3-methylbutyl)benzimidazol-2-yl]benzoic acid

Systemtic Name: 2-[5-cyano-1-(3-methylbutyl)benzimidazol-2-yl]benzoic acid Openeye Name: 2-(5-cyano-1-isopentyl-benzimidazol-2-yl)benzoic acid CAS Name: 2-[5-cyano-1-(3-methylbutyl)-2-benzimidazolyl]benzoic acid IUPAC Name: 2-[5-cyano-1-(3-methylbutyl)benzimidazol-2-yl]benzoic acid Traditional Name: 2-(5-cyano-1-isoamyl-benzimidazol-2-yl)benzoic acid Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H19N3O2/c1-13(2)9-10-23-18-8-7-14(12-21)11-17(18)22-19(23)15-5-3-4-6-16(15)20(24)25/h3-8,11,13H,9-10H2,1-2H3,(H,24,25)