diethyl 2-[(1S)-3-oxidanylidene-1-[2-(trifluoromethyl)phenyl]butyl]propanedioate

Systemtic Name: diethyl 2-[(1S)-3-oxidanylidene-1-[2-(trifluoromethyl)phenyl]butyl]propanedioate Openeye Name: diethyl 2-[(1S)-3-oxo-1-[2-(trifluoromethyl)phenyl]butyl]propanedioate CAS Name: 2-[(1S)-3-oxo-1-[2-(trifluoromethyl)phenyl]butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S)-3-oxo-1-[2-(trifluoromethyl)phenyl]butyl]propanedioate Traditional Name: 2-[(1S)-3-keto-1-[2-(trifluoromethyl)phenyl]butyl]malonic acid diethyl ester Formula: C18H21F3O5 MolecularWeight: 374.35155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)C)C1=CC=CC=C1C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H](CC(=O)C)C1=CC=CC=C1C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C18H21F3O5/c1-4-25-16(23)15(17(24)26-5-2)13(10-11(3)22)12-8-6-7-9-14(12)18(19,20)21/h6-9,13,15H,4-5,10H2,1-3H3/t13-/m1/s1