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The molecular formula is C14H23NO5.
Some synonyms include 98977-37-8, 1-tert-butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate, and 1H-Azepine-1,3-dicarboxylic acid.
The molecular weight is 285.34 g/mol.
The IUPAC name is 1-O-tert-butyl 3-O-ethyl 4-oxoazepane-1,3-dicarboxylate.
The InChIKey is JHXZHJRQFDJAPP-UHFFFAOYSA-N.
The Canonical SMILES is CCOC(=O)C1CN(CCCC1=O)C(=O)OC(C)(C)C.
There are 5 hydrogen bond acceptor counts.
The formal charge is 0.
There are 5 rotatable bond counts.
Yes, Ethyl 1-boc-4-oxo-3-azepanecarboxylate is a canonicalized compound.
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