5-[3-[2-chloranyl-4-(trifluoromethyloxy)phenyl]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[3-[2-chloranyl-4-(trifluoromethyloxy)phenyl]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Openeye Name: 5-[3-[2-chloro-4-(trifluoromethoxy)phenyl]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid CAS Name: 5-[3-[2-chloro-4-(trifluoromethoxy)phenyl]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid IUPAC Name: 5-[3-[2-chloro-4-(trifluoromethoxy)phenyl]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Traditional Name: 5-[3-[2-chloro-4-(trifluoromethoxy)phenyl]propoxy]-2-ethyl-coumaran-2-carboxylic acid Formula: C21H20ClF3O5 MolecularWeight: 444.82871

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(O1)C=CC(=C2)OCCCC3=C(C=C(C=C3)OC(F)(F)F)Cl)C(=O)O

Isomeric SMILES

CCC1(CC2=C(O1)C=CC(=C2)OCCCC3=C(C=C(C=C3)OC(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C21H20ClF3O5/c1-2-20(19(26)27)12-14-10-15(7-8-18(14)30-20)28-9-3-4-13-5-6-16(11-17(13)22)29-21(23,24)25/h5-8,10-11H,2-4,9,12H2,1H3,(H,26,27)