1-(2-oxidanylidene-2-phenyl-ethanoyl)azepane-2-carboxylic acid

Systemtic Name: 1-(2-oxidanylidene-2-phenyl-ethanoyl)azepane-2-carboxylic acid Openeye Name: 1-(2-oxo-2-phenyl-acetyl)azepane-2-carboxylic acid CAS Name: 1-(1,2-dioxo-2-phenylethyl)-2-azepanecarboxylic acid IUPAC Name: 1-(2-oxo-2-phenylacetyl)azepane-2-carboxylic acid Traditional Name: 1-(2-keto-2-phenyl-acetyl)azepane-2-carboxylic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(N(CC1)C(=O)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H17NO4/c17-13(11-7-3-1-4-8-11)14(18)16-10-6-2-5-9-12(16)15(19)20/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,19,20)