O1-acetamido O3-ethyl 2-ethyl-2-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]propanedioate

Systemtic Name: O1-acetamido O3-ethyl 2-ethyl-2-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]propanedioate Openeye Name: O1-acetamido O3-ethyl 2-ethyl-2-[3-(4-fluorophenyl)-3-oxo-propyl]propanedioate CAS Name: 2-ethyl-2-[3-(4-fluorophenyl)-3-oxopropyl]propanedioic acid O1-acetamido ester O3-ethyl ester IUPAC Name: 1-O-acetamido 3-O-ethyl 2-ethyl-2-[3-(4-fluorophenyl)-3-oxopropyl]propanedioate Traditional Name: 2-ethyl-2-[3-(4-fluorophenyl)-3-keto-propyl]malonic acid O1-acetamido ester O3-ethyl ester Formula: C18H22FNO6 MolecularWeight: 367.368783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C1=CC=C(C=C1)F)(C(=O)OCC)C(=O)ONC(=O)C

Isomeric SMILES

CCC(CCC(=O)C1=CC=C(C=C1)F)(C(=O)OCC)C(=O)ONC(=O)C

InChI

InChI=1S/C18H22FNO6/c1-4-18(16(23)25-5-2,17(24)26-20-12(3)21)11-10-15(22)13-6-8-14(19)9-7-13/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)