6-[2-(acetyloxymethyl)-5-isocyano-benzimidazol-1-yl]hexyl 2,2-dimethylpropanoate

Systemtic Name: 6-[2-(acetyloxymethyl)-5-isocyano-benzimidazol-1-yl]hexyl 2,2-dimethylpropanoate Openeye Name: 6-[2-(acetoxymethyl)-5-isocyano-benzimidazol-1-yl]hexyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 6-[2-(acetyloxymethyl)-5-isocyano-1-benzimidazolyl]hexyl ester IUPAC Name: 6-[2-(acetyloxymethyl)-5-isocyanobenzimidazol-1-yl]hexyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 6-[2-(acetoxymethyl)-5-isocyano-benzimidazol-1-yl]hexyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=NC2=C(N1CCCCCCOC(=O)C(C)(C)C)C=CC(=C2)[N+]#[C-]

Isomeric SMILES

CC(=O)OCC1=NC2=C(N1CCCCCCOC(=O)C(C)(C)C)C=CC(=C2)[N+]#[C-]

InChI

InChI=1S/C22H29N3O4/c1-16(26)29-15-20-24-18-14-17(23-5)10-11-19(18)25(20)12-8-6-7-9-13-28-21(27)22(2,3)4/h10-11,14H,6-9,12-13,15H2,1-4H3