diethyl 2-[(E)-but-2-enyl]-2-[3-(2-methanoylphenyl)prop-2-ynyl]propanedioate

Systemtic Name: diethyl 2-[(E)-but-2-enyl]-2-[3-(2-methanoylphenyl)prop-2-ynyl]propanedioate Openeye Name: diethyl 2-[(E)-but-2-enyl]-2-[3-(2-formylphenyl)prop-2-ynyl]propanedioate CAS Name: 2-[(E)-but-2-enyl]-2-[3-(2-formylphenyl)prop-2-ynyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-but-2-enyl]-2-[3-(2-formylphenyl)prop-2-ynyl]propanedioate Traditional Name: 2-[(E)-but-2-enyl]-2-[3-(2-formylphenyl)prop-2-ynyl]malonic acid diethyl ester Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC)(CC#CC1=CC=CC=C1C=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C/C)(CC#CC1=CC=CC=C1C=O)C(=O)OCC

InChI

InChI=1S/C21H24O5/c1-4-7-14-21(19(23)25-5-2,20(24)26-6-3)15-10-13-17-11-8-9-12-18(17)16-22/h4,7-9,11-12,16H,5-6,14-15H2,1-3H3/b7-4+