3-[4-[(3R)-3-(4-ethyl-2-thiophen-3-yl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[(3R)-3-(4-ethyl-2-thiophen-3-yl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[(3R)-3-[4-ethyl-2-(3-thienyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[(3R)-3-[4-ethyl-2-(3-thiophenyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[(3R)-3-(4-ethyl-2-thiophen-3-ylphenoxy)butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[(3R)-3-[4-ethyl-2-(3-thienyl)phenoxy]butoxy]-2-methyl-phenyl]propionic acid Formula: C26H30O4S MolecularWeight: 438.579

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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)C3=CSC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)O[C@H](C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C3=CSC=C3

InChI

InChI=1S/C26H30O4S/c1-4-20-5-9-25(24(16-20)22-12-14-31-17-22)30-19(3)11-13-29-23-8-6-21(18(2)15-23)7-10-26(27)28/h5-6,8-9,12,14-17,19H,4,7,10-11,13H2,1-3H3,(H,27,28)/t19-/m1/s1