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

Systemtic Name: 3-[4-[(3R)-3-(4-ethyl-2-thiophen-2-yl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[(3R)-3-[4-ethyl-2-(2-thienyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[(3R)-3-(4-ethyl-2-thiophen-2-ylphenoxy)butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[(3R)-3-(4-ethyl-2-thiophen-2-ylphenoxy)butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[(3R)-3-[4-ethyl-2-(2-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=CC=CS3

Isomeric SMILES

CCC1=CC(=C(C=C1)O[C@H](C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C3=CC=CS3

InChI

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