2-[2-(4-heptoxyphenyl)ethyl]-2-(2-methylpropyl)propanedioic acid

Systemtic Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-(2-methylpropyl)propanedioic acid Openeye Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-isobutyl-propanedioic acid CAS Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-(2-methylpropyl)propanedioic acid IUPAC Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-(2-methylpropyl)propanedioic acid Traditional Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-isobutyl-malonic acid Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O5/c1-4-5-6-7-8-15-27-19-11-9-18(10-12-19)13-14-22(20(23)24,21(25)26)16-17(2)3/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,24)(H,25,26)