2-[4-(3-fluoranyl-4-hexoxy-phenyl)phenoxy]propanoic acid

Systemtic Name: 2-[4-(3-fluoranyl-4-hexoxy-phenyl)phenoxy]propanoic acid Openeye Name: 2-[4-(3-fluoro-4-hexoxy-phenyl)phenoxy]propanoic acid CAS Name: 2-[4-(3-fluoro-4-hexoxyphenyl)phenoxy]propanoic acid IUPAC Name: 2-[4-(3-fluoro-4-hexoxyphenyl)phenoxy]propanoic acid Traditional Name: 2-[4-(3-fluoro-4-hexoxy-phenyl)phenoxy]propionic acid Formula: C21H25FO4 MolecularWeight: 360.419203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(C)C(=O)O)F

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(C)C(=O)O)F

InChI

InChI=1S/C21H25FO4/c1-3-4-5-6-13-25-20-12-9-17(14-19(20)22)16-7-10-18(11-8-16)26-15(2)21(23)24/h7-12,14-15H,3-6,13H2,1-2H3,(H,23,24)