diethyl 2-[(E)-but-2-enyl]-2-[2-(2-phenylethynyl)phenyl]propanedioate

Systemtic Name: diethyl 2-[(E)-but-2-enyl]-2-[2-(2-phenylethynyl)phenyl]propanedioate Openeye Name: diethyl 2-[(E)-but-2-enyl]-2-[2-(2-phenylethynyl)phenyl]propanedioate CAS Name: 2-[(E)-but-2-enyl]-2-[2-(2-phenylethynyl)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-but-2-enyl]-2-[2-(2-phenylethynyl)phenyl]propanedioate Traditional Name: 2-[(E)-but-2-enyl]-2-[2-(2-phenylethynyl)phenyl]malonic acid diethyl ester Formula: C25H26O4 MolecularWeight: 390.47154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC)(C1=CC=CC=C1C#CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C/C)(C1=CC=CC=C1C#CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C25H26O4/c1-4-7-19-25(23(26)28-5-2,24(27)29-6-3)22-16-12-11-15-21(22)18-17-20-13-9-8-10-14-20/h4,7-16H,5-6,19H2,1-3H3/b7-4+