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

Systemtic Name: ethyl 3-[[2-(6-ethoxy-6-oxidanylidene-hexanoyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(6-ethoxy-6-oxo-hexanoyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-(6-ethoxy-1,6-dioxohexyl)-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(6-ethoxy-6-oxohexanoyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(6-ethoxy-6-keto-hexanoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6/c1-3-29-19(26)12-6-5-11-18(25)23-13-8-14-24(23)21(28)22-17-10-7-9-16(15-17)20(27)30-4-2/h7,9-10,15H,3-6,8,11-14H2,1-2H3,(H,22,28)