3-[5-bromanyl-3-[(1,4-dimethylindol-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid

Systemtic Name: 3-[5-bromanyl-3-[(1,4-dimethylindol-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid Openeye Name: 3-[5-bromo-3-[(1,4-dimethylindol-3-yl)methyl]-2-oxo-benzimidazol-1-yl]hexanoic acid CAS Name: 3-[5-bromo-3-[(1,4-dimethyl-3-indolyl)methyl]-2-oxo-1-benzimidazolyl]hexanoic acid IUPAC Name: 3-[5-bromo-3-[(1,4-dimethylindol-3-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid Traditional Name: 3-[5-bromo-3-[(1,4-dimethylindol-3-yl)methyl]-2-keto-benzimidazol-1-yl]hexanoic acid Formula: C24H26BrN3O3 MolecularWeight: 484.38554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)N1C2=C(C=C(C=C2)Br)N(C1=O)CC3=CN(C4=CC=CC(=C43)C)C

Isomeric SMILES

CCCC(CC(=O)O)N1C2=C(C=C(C=C2)Br)N(C1=O)CC3=CN(C4=CC=CC(=C43)C)C

InChI

InChI=1S/C24H26BrN3O3/c1-4-6-18(12-22(29)30)28-19-10-9-17(25)11-21(19)27(24(28)31)14-16-13-26(3)20-8-5-7-15(2)23(16)20/h5,7-11,13,18H,4,6,12,14H2,1-3H3,(H,29,30)