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

Systemtic Name: 3-[4-[3-[4-ethyl-2-(phenylmethyl)phenoxy]propoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-benzyl-4-ethyl-phenoxy)propoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-[4-ethyl-2-(phenylmethyl)phenoxy]propoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-benzyl-4-ethylphenoxy)propoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(2-benzyl-4-ethyl-phenoxy)propoxy]-2-methyl-phenyl]propionic acid Formula: C28H32O4 MolecularWeight: 432.55128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCOC2=CC(=C(C=C2)CCC(=O)O)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCOC2=CC(=C(C=C2)CCC(=O)O)C)CC3=CC=CC=C3

InChI

InChI=1S/C28H32O4/c1-3-22-10-14-27(25(19-22)20-23-8-5-4-6-9-23)32-17-7-16-31-26-13-11-24(21(2)18-26)12-15-28(29)30/h4-6,8-11,13-14,18-19H,3,7,12,15-17,20H2,1-2H3,(H,29,30)