ethyl 3-[[2-(5-ethoxy-5-oxidanylidene-pentanoyl)pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(5-ethoxy-5-oxidanylidene-pentanoyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(5-ethoxy-5-oxo-pentanoyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-(5-ethoxy-1,5-dioxopentyl)-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(5-ethoxy-5-oxopentanoyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(5-ethoxy-5-keto-pentanoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCCC(=O)N1CCCN1C(=O)NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C20H27N3O6/c1-3-28-18(25)11-6-10-17(24)22-12-7-13-23(22)20(27)21-16-9-5-8-15(14-16)19(26)29-4-2/h5,8-9,14H,3-4,6-7,10-13H2,1-2H3,(H,21,27)