bis(phenylmethyl) 2-(4-methyl-2-methylidene-pent-4-enyl)-2-prop-2-ynyl-propanedioate

Systemtic Name: bis(phenylmethyl) 2-(4-methyl-2-methylidene-pent-4-enyl)-2-prop-2-ynyl-propanedioate Openeye Name: dibenzyl 2-(4-methyl-2-methylene-pent-4-enyl)-2-prop-2-ynyl-propanedioate CAS Name: 2-(4-methyl-2-methylenepent-4-enyl)-2-prop-2-ynylpropanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(4-methyl-2-methylidenepent-4-enyl)-2-prop-2-ynylpropanedioate Traditional Name: 2-(4-methyl-2-methylene-pent-4-enyl)-2-propargyl-malonic acid dibenzyl ester Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O4/c1-5-16-27(18-22(4)17-21(2)3,25(28)30-19-23-12-8-6-9-13-23)26(29)31-20-24-14-10-7-11-15-24/h1,6-15H,2,4,16-20H2,3H3