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

Systemtic Name: 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]acetic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-15(2)11-12-24-17-8-4-3-7-16(17)23-20(24)13-25-18-9-5-6-10-19(18)26(22(25)29)14-21(27)28/h3-10,15H,11-14H2,1-2H3,(H,27,28)