O3-[4-(4-ethoxycarbonylphenyl)-2-methyl-but-3-yn-2-yl] O1-ethyl propanedioate

Systemtic Name: O3-[4-(4-ethoxycarbonylphenyl)-2-methyl-but-3-yn-2-yl] O1-ethyl propanedioate Openeye Name: O3-[3-(4-ethoxycarbonylphenyl)-1,1-dimethyl-prop-2-ynyl] O1-ethyl propanedioate CAS Name: propanedioic acid O3-[4-(4-ethoxycarbonylphenyl)-2-methylbut-3-yn-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[4-(4-ethoxycarbonylphenyl)-2-methylbut-3-yn-2-yl] 1-O-ethyl propanedioate Traditional Name: malonic acid O3-[3-(4-carbethoxyphenyl)-1,1-dimethyl-prop-2-ynyl] ester O1-ethyl ester Formula: C19H22O6 MolecularWeight: 346.37438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OC(C)(C)C#CC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)OC(C)(C)C#CC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C19H22O6/c1-5-23-16(20)13-17(21)25-19(3,4)12-11-14-7-9-15(10-8-14)18(22)24-6-2/h7-10H,5-6,13H2,1-4H3