diethyl 2-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]propanedioate

Systemtic Name: diethyl 2-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]propanedioate Openeye Name: diethyl 2-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]propanedioate CAS Name: 2-[2-[2-(1-cyclohexenyl)ethynyl]phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]propanedioate Traditional Name: 2-[2-[2-(cyclohexen-1-yl)ethynyl]phenyl]malonic acid diethyl ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1C#CC2=CCCCC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1C#CC2=CCCCC2)C(=O)OCC

InChI

InChI=1S/C21H24O4/c1-3-24-20(22)19(21(23)25-4-2)18-13-9-8-12-17(18)15-14-16-10-6-5-7-11-16/h8-10,12-13,19H,3-7,11H2,1-2H3