3-[2,7-bis(oxidanylidene)azepan-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[2,7-bis(oxidanylidene)azepan-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-(2,7-dioxoazepan-1-yl)-3-phenyl-propanoic acid CAS Name: 3-(2,7-dioxo-1-azepanyl)-3-phenylpropanoic acid IUPAC Name: 3-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid Traditional Name: 3-(2,7-diketoazepan-1-yl)-3-phenyl-propionic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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