bis(phenylmethyl) 2-(2-methylidenepent-4-enyl)-2-prop-2-ynyl-propanedioate

Systemtic Name: bis(phenylmethyl) 2-(2-methylidenepent-4-enyl)-2-prop-2-ynyl-propanedioate Openeye Name: dibenzyl 2-(2-methylenepent-4-enyl)-2-prop-2-ynyl-propanedioate CAS Name: 2-(2-methylenepent-4-enyl)-2-prop-2-ynylpropanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(2-methylidenepent-4-enyl)-2-prop-2-ynylpropanedioate Traditional Name: 2-(2-methylenepent-4-enyl)-2-propargyl-malonic acid dibenzyl ester Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=C)CC(CC#C)(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C=CCC(=C)CC(CC#C)(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H26O4/c1-4-12-21(3)18-26(17-5-2,24(27)29-19-22-13-8-6-9-14-22)25(28)30-20-23-15-10-7-11-16-23/h2,4,6-11,13-16H,1,3,12,17-20H2