ethyl 3-[[2-(6-methoxy-6-oxidanylidene-hexanoyl)pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(6-methoxy-6-oxidanylidene-hexanoyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(6-methoxy-6-oxo-hexanoyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-(6-methoxy-1,6-dioxohexyl)-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(6-methoxy-6-oxohexanoyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(6-keto-6-methoxy-hexanoyl)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)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CCCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CCCCC(=O)OC

InChI

InChI=1S/C20H27N3O6/c1-3-29-19(26)15-8-6-9-16(14-15)21-20(27)23-13-7-12-22(23)17(24)10-4-5-11-18(25)28-2/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,21,27)