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

Systemtic Name: 3-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]propanoic acid Openeye Name: 3-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]propanoic acid CAS Name: 3-[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]propanoic acid Traditional Name: 3-[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]propionic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-16(2)11-13-25-18-8-4-3-7-17(18)24-21(25)15-27-20-10-6-5-9-19(20)26(23(27)30)14-12-22(28)29/h3-10,16H,11-15H2,1-2H3,(H,28,29)