tert-butyl (2S,3S)-3-(methoxymethoxy)-2-[2-oxidanyl-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3S)-3-(methoxymethoxy)-2-[2-oxidanyl-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2S,3S)-2-[2-hydroxy-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]-3-(methoxymethoxy)piperidine-1-carboxylate CAS Name: (2S,3S)-2-[2-hydroxy-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]-3-(methoxymethoxy)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-2-[2-hydroxy-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]-3-(methoxymethoxy)piperidine-1-carboxylate Traditional Name: (2S,3S)-2-[2-hydroxy-3-(4-keto-1,2,3-benzotriazin-3-yl)propyl]-3-(methoxymethoxy)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32N4O6 MolecularWeight: 448.51268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1CC(CN2C(=O)C3=CC=CC=C3N=N2)O)OCOC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]1CC(CN2C(=O)C3=CC=CC=C3N=N2)O)OCOC

InChI

InChI=1S/C22H32N4O6/c1-22(2,3)32-21(29)25-11-7-10-19(31-14-30-4)18(25)12-15(27)13-26-20(28)16-8-5-6-9-17(16)23-24-26/h5-6,8-9,15,18-19,27H,7,10-14H2,1-4H3/t15?,18-,19-/m0/s1