butyl 4-[2-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxy]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxy]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-(2-ketoazepan-1-yl)acetyl]oxyacetyl]amino]benzoic acid butyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CN2CCCCCC2=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C21H28N2O6/c1-2-3-13-28-21(27)16-8-10-17(11-9-16)22-18(24)15-29-20(26)14-23-12-6-4-5-7-19(23)25/h8-11H,2-7,12-15H2,1H3,(H,22,24)