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

Systemtic Name: 3-[4-[3-[4-ethyl-2-(phenylmethyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-benzyl-4-ethyl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-[4-ethyl-2-(phenylmethyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-benzyl-4-ethylphenoxy)butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(2-benzyl-4-ethyl-phenoxy)butoxy]-2-methyl-phenyl]propionic acid Formula: C29H34O4 MolecularWeight: 446.57786

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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)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)CC3=CC=CC=C3

InChI

InChI=1S/C29H34O4/c1-4-23-10-14-28(26(19-23)20-24-8-6-5-7-9-24)33-22(3)16-17-32-27-13-11-25(21(2)18-27)12-15-29(30)31/h5-11,13-14,18-19,22H,4,12,15-17,20H2,1-3H3,(H,30,31)