diethyl 2-[(E)-4-oxidanylidene-4-phenyl-but-2-enyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: diethyl 2-[(E)-4-oxidanylidene-4-phenyl-but-2-enyl]-2-prop-2-ynyl-propanedioate Openeye Name: diethyl 2-[(E)-4-oxo-4-phenyl-but-2-enyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(E)-4-oxo-4-phenylbut-2-enyl]-2-prop-2-ynylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-4-oxo-4-phenylbut-2-enyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[(E)-4-keto-4-phenyl-but-2-enyl]-2-propargyl-malonic acid diethyl ester Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O5/c1-4-14-20(18(22)24-5-2,19(23)25-6-3)15-10-13-17(21)16-11-8-7-9-12-16/h1,7-13H,5-6,14-15H2,2-3H3/b13-10+