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

Systemtic Name: 3-[4-[3-(2-cyclopentylcarbonyl-4-ethyl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-[2-(cyclopentanecarbonyl)-4-ethyl-phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-[2-[cyclopentyl(oxo)methyl]-4-ethylphenoxy]butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-[2-(cyclopentanecarbonyl)-4-ethylphenoxy]butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-[2-(cyclopentanecarbonyl)-4-ethyl-phenoxy]butoxy]-2-methyl-phenyl]propionic acid Formula: C28H36O5 MolecularWeight: 452.58244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3CCCC3

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3CCCC3

InChI

InChI=1S/C28H36O5/c1-4-21-9-13-26(25(18-21)28(31)23-7-5-6-8-23)33-20(3)15-16-32-24-12-10-22(19(2)17-24)11-14-27(29)30/h9-10,12-13,17-18,20,23H,4-8,11,14-16H2,1-3H3,(H,29,30)