diethyl 2-prop-2-ynyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]propanedioate

Systemtic Name: diethyl 2-prop-2-ynyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]propanedioate Openeye Name: diethyl 2-prop-2-ynyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]allyl]propanedioate CAS Name: 2-prop-2-ynyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-prop-2-ynyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]propanedioate Traditional Name: 2-propargyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]allyl]malonic acid diethyl ester Formula: C20H21F3O4 MolecularWeight: 382.37355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC1=CC=C(C=C1)C(F)(F)F)(CC#C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C/C1=CC=C(C=C1)C(F)(F)F)(CC#C)C(=O)OCC

InChI

InChI=1S/C20H21F3O4/c1-4-13-19(17(24)26-5-2,18(25)27-6-3)14-7-8-15-9-11-16(12-10-15)20(21,22)23/h1,7-12H,5-6,13-14H2,2-3H3/b8-7+