2-[3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methyl-pentyl]-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methyl-pentyl]-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methyl-pentyl]-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methylpentyl]-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methylpentyl]-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[3-[1-(6-cyano-1H-benzimidazol-2-yl)-4-methyl-pentyl]-2-keto-benzimidazol-1-yl]acetic acid Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)C#N)N3C4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)C#N)N3C4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C23H23N5O3/c1-14(2)7-10-20(22-25-16-9-8-15(12-24)11-17(16)26-22)28-19-6-4-3-5-18(19)27(23(28)31)13-21(29)30/h3-6,8-9,11,14,20H,7,10,13H2,1-2H3,(H,25,26)(H,29,30)