3-oxidanyl-4-phenylmethoxy-azepane-1-carboxylate

Systemtic Name: 3-oxidanyl-4-phenylmethoxy-azepane-1-carboxylate Openeye Name: 4-benzyloxy-3-hydroxy-azepane-1-carboxylate CAS Name: 3-hydroxy-4-phenylmethoxy-1-azepanecarboxylate IUPAC Name: 3-hydroxy-4-phenylmethoxyazepane-1-carboxylate Traditional Name: 4-benzoxy-3-hydroxy-azepane-1-carboxylate Formula: C14H18NO4- MolecularWeight: 264.29702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)[O-])O)OCC2=CC=CC=C2

Isomeric SMILES

C1CC(C(CN(C1)C(=O)[O-])O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H19NO4/c16-12-9-15(14(17)18)8-4-7-13(12)19-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,17,18)/p-1