3-[4-[3-[4-ethyl-2-(2-methylpropanoyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[4-ethyl-2-(2-methylpropanoyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-[4-ethyl-2-(2-methylpropanoyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-[4-ethyl-2-(2-methyl-1-oxopropyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-[4-ethyl-2-(2-methylpropanoyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(4-ethyl-2-isobutyryl-phenoxy)butoxy]-2-methyl-phenyl]propionic acid Formula: C26H34O5 MolecularWeight: 426.54516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C(C)C

InChI

InChI=1S/C26H34O5/c1-6-20-7-11-24(23(16-20)26(29)17(2)3)31-19(5)13-14-30-22-10-8-21(18(4)15-22)9-12-25(27)28/h7-8,10-11,15-17,19H,6,9,12-14H2,1-5H3,(H,27,28)