methyl 6-[3-methyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-1,2,4-oxadiazol-2-ium-2-yl]hexanoate

Systemtic Name: methyl 6-[3-methyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-1,2,4-oxadiazol-2-ium-2-yl]hexanoate Openeye Name: methyl 6-[2-(benzyloxycarbonylamino)-3-methyl-5-oxo-1,2,4-oxadiazol-2-ium-2-yl]hexanoate CAS Name: 6-[3-methyl-5-oxo-2-(phenylmethoxycarbonylamino)-1,2,4-oxadiazol-2-ium-2-yl]hexanoic acid methyl ester IUPAC Name: methyl 6-[3-methyl-5-oxo-2-(phenylmethoxycarbonylamino)-1,2,4-oxadiazol-2-ium-2-yl]hexanoate Traditional Name: 6-[2-(benzyloxycarbonylamino)-5-keto-3-methyl-1,2,4-oxadiazol-2-ium-2-yl]hexanoic acid methyl ester Formula: C18H24N3O6+ MolecularWeight: 378.39966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)O[N+]1(CCCCCC(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=O)O[N+]1(CCCCCC(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O6/c1-14-19-17(23)27-21(14,12-8-4-7-11-16(22)25-2)20-18(24)26-13-15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3/p+1