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

Systemtic Name: 3-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 3-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]methyl]benzoic acid Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C28H28N4O3/c1-19(2)14-15-30-23-11-4-3-10-22(23)29-26(30)18-32-25-13-6-5-12-24(25)31(28(32)35)17-20-8-7-9-21(16-20)27(33)34/h3-13,16,19H,14-15,17-18H2,1-2H3,(H,33,34)