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

Systemtic Name: diethyl 2-[[2-(3-ethoxycarbonyloxy-3-phenyl-prop-1-ynyl)phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[2-(3-ethoxycarbonyloxy-3-phenyl-prop-1-ynyl)phenyl]methyl]propanedioate CAS Name: 2-[[2-(3-ethoxycarbonyloxy-3-phenylprop-1-ynyl)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(3-ethoxycarbonyloxy-3-phenylprop-1-ynyl)phenyl]methyl]propanedioate Traditional Name: 2-[2-(3-carbethoxyoxy-3-phenyl-prop-1-ynyl)benzyl]malonic acid diethyl ester Formula: C26H28O7 MolecularWeight: 452.49632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O7/c1-4-30-24(27)22(25(28)31-5-2)18-21-15-11-10-12-19(21)16-17-23(33-26(29)32-6-3)20-13-8-7-9-14-20/h7-15,22-23H,4-6,18H2,1-3H3