3-[3-[(5-bromanyl-1-methyl-indol-7-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid

Systemtic Name: 3-[3-[(5-bromanyl-1-methyl-indol-7-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanoic acid Openeye Name: 3-[3-[(5-bromo-1-methyl-indol-7-yl)methyl]-2-oxo-benzimidazol-1-yl]hexanoic acid CAS Name: 3-[3-[(5-bromo-1-methyl-7-indolyl)methyl]-2-oxo-1-benzimidazolyl]hexanoic acid IUPAC Name: 3-[3-[(5-bromo-1-methylindol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid Traditional Name: 3-[3-[(5-bromo-1-methyl-indol-7-yl)methyl]-2-keto-benzimidazol-1-yl]hexanoic acid Formula: C23H24BrN3O3 MolecularWeight: 470.35896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=C4C(=CC(=C3)Br)C=CN4C

Isomeric SMILES

CCCC(CC(=O)O)N1C2=CC=CC=C2N(C1=O)CC3=C4C(=CC(=C3)Br)C=CN4C

InChI

InChI=1S/C23H24BrN3O3/c1-3-6-18(13-21(28)29)27-20-8-5-4-7-19(20)26(23(27)30)14-16-12-17(24)11-15-9-10-25(2)22(15)16/h4-5,7-12,18H,3,6,13-14H2,1-2H3,(H,28,29)