diethyl 2-[[2-[3-(4-chlorophenyl)-3-ethoxycarbonyloxy-prop-1-ynyl]phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-[[2-[3-(4-chlorophenyl)-3-ethoxycarbonyloxy-prop-1-ynyl]phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[2-[3-(4-chlorophenyl)-3-ethoxycarbonyloxy-prop-1-ynyl]phenyl]methyl]propanedioate CAS Name: 2-[[2-[3-(4-chlorophenyl)-3-ethoxycarbonyloxyprop-1-ynyl]phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[3-(4-chlorophenyl)-3-ethoxycarbonyloxyprop-1-ynyl]phenyl]methyl]propanedioate Traditional Name: 2-[2-[3-carbethoxyoxy-3-(4-chlorophenyl)prop-1-ynyl]benzyl]malonic acid diethyl ester Formula: C26H27ClO7 MolecularWeight: 486.94138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClO7/c1-4-31-24(28)22(25(29)32-5-2)17-20-10-8-7-9-18(20)13-16-23(34-26(30)33-6-3)19-11-14-21(27)15-12-19/h7-12,14-15,22-23H,4-6,17H2,1-3H3