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

Systemtic Name: 3-[4-[3-(4-ethyl-2-thiophen-2-ylcarbonyl-phenoxy)propoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-[4-ethyl-2-(thiophene-2-carbonyl)phenoxy]propoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-[4-ethyl-2-[oxo(thiophen-2-yl)methyl]phenoxy]propoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-[4-ethyl-2-(thiophene-2-carbonyl)phenoxy]propoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-[4-ethyl-2-(2-thenoyl)phenoxy]propoxy]-2-methyl-phenyl]propionic acid Formula: C26H28O5S MolecularWeight: 452.56252

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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=CS3

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C26H28O5S/c1-3-19-7-11-23(22(17-19)26(29)24-6-4-15-32-24)31-14-5-13-30-21-10-8-20(18(2)16-21)9-12-25(27)28/h4,6-8,10-11,15-17H,3,5,9,12-14H2,1-2H3,(H,27,28)