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

Systemtic Name: diethyl 2-[[2-[3-ethoxycarbonyloxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[2-[3-ethoxycarbonyloxy-3-(p-tolyl)prop-1-ynyl]phenyl]methyl]propanedioate CAS Name: 2-[[2-[3-ethoxycarbonyloxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[3-ethoxycarbonyloxy-3-(4-methylphenyl)prop-1-ynyl]phenyl]methyl]propanedioate Traditional Name: 2-[2-[3-carbethoxyoxy-3-(p-tolyl)prop-1-ynyl]benzyl]malonic acid diethyl ester Formula: C27H30O7 MolecularWeight: 466.5229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O7/c1-5-31-25(28)23(26(29)32-6-2)18-22-11-9-8-10-20(22)16-17-24(34-27(30)33-7-3)21-14-12-19(4)13-15-21/h8-15,23-24H,5-7,18H2,1-4H3