methyl (2S)-2-(hydroxymethyl)-7-oxidanylidene-azepane-2-carboxylate

Systemtic Name: methyl (2S)-2-(hydroxymethyl)-7-oxidanylidene-azepane-2-carboxylate Openeye Name: methyl (2S)-2-(hydroxymethyl)-7-oxo-azepane-2-carboxylate CAS Name: (2S)-2-(hydroxymethyl)-7-oxo-2-azepanecarboxylic acid methyl ester IUPAC Name: methyl (2S)-2-(hydroxymethyl)-7-oxoazepane-2-carboxylate Traditional Name: (2S)-7-keto-2-methylol-azepane-2-carboxylic acid methyl ester Formula: C9H15NO4 MolecularWeight: 201.2197

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC(=O)N1)CO

Isomeric SMILES

COC(=O)[C@]1(CCCCC(=O)N1)CO

InChI

InChI=1S/C9H15NO4/c1-14-8(13)9(6-11)5-3-2-4-7(12)10-9/h11H,2-6H2,1H3,(H,10,12)/t9-/m0/s1