tert-butyl (2S,3R)-2-(hydroxymethyl)-5-methyl-3-oxidanyl-2,3,4,7-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R)-2-(hydroxymethyl)-5-methyl-3-oxidanyl-2,3,4,7-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)-5-methyl-2,3,4,7-tetrahydroazepine-1-carboxylate CAS Name: (2S,3R)-3-hydroxy-2-(hydroxymethyl)-5-methyl-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)-5-methyl-2,3,4,7-tetrahydroazepine-1-carboxylate Traditional Name: (2S,3R)-3-hydroxy-5-methyl-2-methylol-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCN(C(C(C1)O)CO)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CCN([C@H]([C@@H](C1)O)CO)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H23NO4/c1-9-5-6-14(10(8-15)11(16)7-9)12(17)18-13(2,3)4/h5,10-11,15-16H,6-8H2,1-4H3/t10-,11+/m0/s1