2-[1-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]benzimidazol-2-yl]ethanamide

Systemtic Name: 2-[1-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]benzimidazol-2-yl]ethanamide Openeye Name: 2-[1-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]benzimidazol-2-yl]acetamide CAS Name: 2-[1-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-2-benzimidazolyl]acetamide IUPAC Name: 2-[1-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]acetamide Traditional Name: 2-[1-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]benzimidazol-2-yl]acetamide Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC(COC3=CC=C(C=C3)Br)O)CC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C[C@@H](COC3=CC=C(C=C3)Br)O)CC(=O)N

InChI

InChI=1S/C18H18BrN3O3/c19-12-5-7-14(8-6-12)25-11-13(23)10-22-16-4-2-1-3-15(16)21-18(22)9-17(20)24/h1-8,13,23H,9-11H2,(H2,20,24)/t13-/m0/s1