2-oxidanylidene-1-(phenylmethyl)azepane-3-carboxylic acid

Systemtic Name: 2-oxidanylidene-1-(phenylmethyl)azepane-3-carboxylic acid Openeye Name: 1-benzyl-2-oxo-azepane-3-carboxylic acid CAS Name: 2-oxo-1-(phenylmethyl)-3-azepanecarboxylic acid IUPAC Name: 1-benzyl-2-oxoazepane-3-carboxylic acid Traditional Name: 1-benzyl-2-keto-azepane-3-carboxylic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CCN(C(=O)C(C1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c16-13-12(14(17)18)8-4-5-9-15(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,17,18)