6-[2-(hydroxymethyl)-5-isocyano-benzimidazol-1-yl]hexyl ethanoate

Systemtic Name: 6-[2-(hydroxymethyl)-5-isocyano-benzimidazol-1-yl]hexyl ethanoate Openeye Name: 6-[2-(hydroxymethyl)-5-isocyano-benzimidazol-1-yl]hexyl acetate CAS Name: acetic acid 6-[2-(hydroxymethyl)-5-isocyano-1-benzimidazolyl]hexyl ester IUPAC Name: 6-[2-(hydroxymethyl)-5-isocyanobenzimidazol-1-yl]hexyl acetate Traditional Name: acetic acid 6-(5-isocyano-2-methylol-benzimidazol-1-yl)hexyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CO

Isomeric SMILES

CC(=O)OCCCCCCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1CO

InChI

InChI=1S/C17H21N3O3/c1-13(22)23-10-6-4-3-5-9-20-16-8-7-14(18-2)11-15(16)19-17(20)12-21/h7-8,11,21H,3-6,9-10,12H2,1H3