2-ethoxycarbonyl-2-[2-(4-octylphenyl)ethyl]-5-(oxan-2-yloxy)pentanoic acid

Systemtic Name: 2-ethoxycarbonyl-2-[2-(4-octylphenyl)ethyl]-5-(oxan-2-yloxy)pentanoic acid Openeye Name: 2-ethoxycarbonyl-2-[2-(4-octylphenyl)ethyl]-5-tetrahydropyran-2-yloxy-pentanoic acid CAS Name: 2-ethoxycarbonyl-2-[2-(4-octylphenyl)ethyl]-5-(2-oxanyloxy)pentanoic acid IUPAC Name: 2-ethoxycarbonyl-2-[2-(4-octylphenyl)ethyl]-5-(oxan-2-yloxy)pentanoic acid Traditional Name: 2-carbethoxy-2-[2-(4-octylphenyl)ethyl]-5-tetrahydropyran-2-yloxy-valeric acid Formula: C29H46O6 MolecularWeight: 490.67194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CCCOC2CCCCO2)(C(=O)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CCCOC2CCCCO2)(C(=O)O)C(=O)OCC

InChI

InChI=1S/C29H46O6/c1-3-5-6-7-8-9-13-24-15-17-25(18-16-24)19-21-29(27(30)31,28(32)33-4-2)20-12-23-35-26-14-10-11-22-34-26/h15-18,26H,3-14,19-23H2,1-2H3,(H,30,31)