7-oxidanylidene-3-phenyl-azepane-3-carboxylic acid

Systemtic Name: 7-oxidanylidene-3-phenyl-azepane-3-carboxylic acid Openeye Name: 7-oxo-3-phenyl-azepane-3-carboxylic acid CAS Name: 7-oxo-3-phenyl-3-azepanecarboxylic acid IUPAC Name: 7-oxo-3-phenylazepane-3-carboxylic acid Traditional Name: 7-keto-3-phenyl-azepane-3-carboxylic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NCC(C1)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(=O)NCC(C1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H15NO3/c15-11-7-4-8-13(9-14-11,12(16)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)(H,16,17)