4-[2-[2,7-bis(oxidanylidene)azepan-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2,7-bis(oxidanylidene)azepan-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-(2,7-dioxoazepan-1-yl)ethyl]benzoic acid CAS Name: 4-[2-(2,7-dioxo-1-azepanyl)ethyl]benzoic acid IUPAC Name: 4-[2-(2,7-dioxoazepan-1-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2,7-diketoazepan-1-yl)ethyl]benzoic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17NO4/c17-13-3-1-2-4-14(18)16(13)10-9-11-5-7-12(8-6-11)15(19)20/h5-8H,1-4,9-10H2,(H,19,20)