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

Systemtic Name: ethyl 2-azanyl-6-(6-octyl-1H-benzimidazol-2-yl)-3,4-bis(oxidanyl)hexanoate Openeye Name: ethyl 2-amino-3,4-dihydroxy-6-(6-octyl-1H-benzimidazol-2-yl)hexanoate CAS Name: 2-amino-3,4-dihydroxy-6-(6-octyl-1H-benzimidazol-2-yl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3,4-dihydroxy-6-(6-octyl-1H-benzimidazol-2-yl)hexanoate Traditional Name: 2-amino-3,4-dihydroxy-6-(6-octyl-1H-benzimidazol-2-yl)hexanoic acid ethyl ester Formula: C23H37N3O4 MolecularWeight: 419.55758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O4/c1-3-5-6-7-8-9-10-16-11-12-17-18(15-16)26-20(25-17)14-13-19(27)22(28)21(24)23(29)30-4-2/h11-12,15,19,21-22,27-28H,3-10,13-14,24H2,1-2H3,(H,25,26)