2-[2,7-bis(oxidanylidene)azepan-1-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[2,7-bis(oxidanylidene)azepan-1-yl]-2-phenyl-ethanoic acid Openeye Name: 2-(2,7-dioxoazepan-1-yl)-2-phenyl-acetic acid CAS Name: 2-(2,7-dioxo-1-azepanyl)-2-phenylacetic acid IUPAC Name: 2-(2,7-dioxoazepan-1-yl)-2-phenylacetic acid Traditional Name: 2-(2,7-diketoazepan-1-yl)-2-phenyl-acetic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15NO4/c16-11-8-4-5-9-12(17)15(11)13(14(18)19)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2,(H,18,19)