3-[4-[3-[4-ethyl-2-(phenylcarbonyl)phenoxy]propoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[4-ethyl-2-(phenylcarbonyl)phenoxy]propoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-benzoyl-4-ethyl-phenoxy)propoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-(2-benzoyl-4-ethylphenoxy)propoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-benzoyl-4-ethylphenoxy)propoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(2-benzoyl-4-ethyl-phenoxy)propoxy]-2-methyl-phenyl]propionic acid Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H30O5/c1-3-21-10-14-26(25(19-21)28(31)23-8-5-4-6-9-23)33-17-7-16-32-24-13-11-22(20(2)18-24)12-15-27(29)30/h4-6,8-11,13-14,18-19H,3,7,12,15-17H2,1-2H3,(H,29,30)