diethyl 2-[[2-[2-(4-chlorophenyl)ethynyl]phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-[[2-[2-(4-chlorophenyl)ethynyl]phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[2-[2-(4-chlorophenyl)ethynyl]phenyl]methyl]propanedioate CAS Name: 2-[[2-[2-(4-chlorophenyl)ethynyl]phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[2-(4-chlorophenyl)ethynyl]phenyl]methyl]propanedioate Traditional Name: 2-[2-[2-(4-chlorophenyl)ethynyl]benzyl]malonic acid diethyl ester Formula: C22H21ClO4 MolecularWeight: 384.85274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1C#CC2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1C#CC2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C22H21ClO4/c1-3-26-21(24)20(22(25)27-4-2)15-18-8-6-5-7-17(18)12-9-16-10-13-19(23)14-11-16/h5-8,10-11,13-14,20H,3-4,15H2,1-2H3