6-[3-(1,3-benzodioxol-5-yl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[3-(1,3-benzodioxol-5-yl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[3-(1,3-benzodioxol-5-yl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[3-(1,3-benzodioxol-5-yl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[3-(1,3-benzodioxol-5-yl)-2-phenylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[3-(1,3-benzodioxol-5-yl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C4=C(C=CC(=C4)OCCCCCC(=O)O)N=C3C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C4=C(C=CC(=C4)OCCCCCC(=O)O)N=C3C5=CC=CC=C5

InChI

InChI=1S/C26H24N2O5/c29-25(30)9-5-2-6-14-31-20-11-12-21-22(16-20)28(26(27-21)18-7-3-1-4-8-18)19-10-13-23-24(15-19)33-17-32-23/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14,17H2,(H,29,30)