1-(3-methylbutyl)-2-[(2-oxidanylidene-3-propan-2-yl-benzimidazol-1-yl)methyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-(3-methylbutyl)-2-[(2-oxidanylidene-3-propan-2-yl-benzimidazol-1-yl)methyl]benzimidazole-5-carboxylic acid Openeye Name: 1-isopentyl-2-[(3-isopropyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazole-5-carboxylic acid CAS Name: 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-yl-1-benzimidazolyl)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carboxylic acid Traditional Name: 1-isoamyl-2-[(3-isopropyl-2-keto-benzimidazol-1-yl)methyl]benzimidazole-5-carboxylic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CN3C4=CC=CC=C4N(C3=O)C(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CN3C4=CC=CC=C4N(C3=O)C(C)C

InChI

InChI=1S/C24H28N4O3/c1-15(2)11-12-26-19-10-9-17(23(29)30)13-18(19)25-22(26)14-27-20-7-5-6-8-21(20)28(16(3)4)24(27)31/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,29,30)