diethyl 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate Openeye Name: diethyl 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate CAS Name: 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate Traditional Name: 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]malonic acid diethyl ester Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O5/c1-5-9-11-12-13-21-31-23-16-14-22(15-17-23)18-20-26(19-10-6-2,24(27)29-7-3)25(28)30-8-4/h14-17H,5-13,18-21H2,1-4H3