ethyl 2-azanyl-6-(6-octyl-1H-benzimidazol-2-yl)-3,4,5-tris(oxidanyl)hexanoate

Systemtic Name: ethyl 2-azanyl-6-(6-octyl-1H-benzimidazol-2-yl)-3,4,5-tris(oxidanyl)hexanoate Openeye Name: ethyl 2-amino-3,4,5-trihydroxy-6-(6-octyl-1H-benzimidazol-2-yl)hexanoate CAS Name: 2-amino-3,4,5-trihydroxy-6-(6-octyl-1H-benzimidazol-2-yl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3,4,5-trihydroxy-6-(6-octyl-1H-benzimidazol-2-yl)hexanoate Traditional Name: 2-amino-3,4,5-trihydroxy-6-(6-octyl-1H-benzimidazol-2-yl)hexanoic acid ethyl ester Formula: C23H37N3O5 MolecularWeight: 435.55698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)N=C(N2)CC(C(C(C(C(=O)OCC)N)O)O)O

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)N=C(N2)CC(C(C(C(C(=O)OCC)N)O)O)O

InChI

InChI=1S/C23H37N3O5/c1-3-5-6-7-8-9-10-15-11-12-16-17(13-15)26-19(25-16)14-18(27)21(28)22(29)20(24)23(30)31-4-2/h11-13,18,20-22,27-29H,3-10,14,24H2,1-2H3,(H,25,26)