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

Systemtic Name: 3-[4-[3-(2-cyclopropylcarbonyl-4-ethyl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-[2-(cyclopropanecarbonyl)-4-ethyl-phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-[2-[cyclopropyl(oxo)methyl]-4-ethylphenoxy]butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-[2-(cyclopropanecarbonyl)-4-ethylphenoxy]butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-[2-(cyclopropanecarbonyl)-4-ethyl-phenoxy]butoxy]-2-methyl-phenyl]propionic acid Formula: C26H32O5 MolecularWeight: 424.52928

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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)C3CC3

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3CC3

InChI

InChI=1S/C26H32O5/c1-4-19-5-11-24(23(16-19)26(29)21-6-7-21)31-18(3)13-14-30-22-10-8-20(17(2)15-22)9-12-25(27)28/h5,8,10-11,15-16,18,21H,4,6-7,9,12-14H2,1-3H3,(H,27,28)