6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid

Systemtic Name: 6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid Openeye Name: 6-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]hexanoic acid CAS Name: 6-[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]hexanoic acid IUPAC Name: 6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]hexanoic acid Traditional Name: 6-[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]hexanoic acid Formula: C26H32N4O3 MolecularWeight: 448.55728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCCCC(=O)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCCCC(=O)O

InChI

InChI=1S/C26H32N4O3/c1-19(2)15-17-28-21-11-6-5-10-20(21)27-24(28)18-30-23-13-8-7-12-22(23)29(26(30)33)16-9-3-4-14-25(31)32/h5-8,10-13,19H,3-4,9,14-18H2,1-2H3,(H,31,32)