diethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-prop-2-enyl-propanedioate

Systemtic Name: diethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-prop-2-enyl-propanedioate Openeye Name: diethyl 2-allyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate CAS Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-prop-2-enylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[2-(4-heptoxyphenyl)ethyl]malonic acid diethyl ester Formula: C25H38O5 MolecularWeight: 418.56622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CC=C)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CC=C)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C25H38O5/c1-5-9-10-11-12-20-30-22-15-13-21(14-16-22)17-19-25(18-6-2,23(26)28-7-3)24(27)29-8-4/h6,13-16H,2,5,7-12,17-20H2,1,3-4H3