3-[3-[(6-bromanyl-1H-indol-4-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid

Systemtic Name: 3-[3-[(6-bromanyl-1H-indol-4-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid Openeye Name: 3-[3-[(6-bromo-1H-indol-4-yl)methyl]-2-oxo-benzimidazol-1-yl]hexanoic acid CAS Name: 3-[3-[(6-bromo-1H-indol-4-yl)methyl]-2-oxo-1-benzimidazolyl]hexanoic acid IUPAC Name: 3-[3-[(6-bromo-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid Traditional Name: 3-[3-[(6-bromo-1H-indol-4-yl)methyl]-2-keto-benzimidazol-1-yl]hexanoic acid Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CC(=CC4=C3C=CN4)Br

Isomeric SMILES

CCCC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=CC(=CC4=C3C=CN4)Br

InChI

InChI=1S/C22H22BrN3O3/c1-2-5-16(12-21(27)28)26-20-7-4-3-6-19(20)25(22(26)29)13-14-10-15(23)11-18-17(14)8-9-24-18/h3-4,6-11,16,24H,2,5,12-13H2,1H3,(H,27,28)