4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-(trifluoromethyl)furan-2-carboxylic acid

Systemtic Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-(trifluoromethyl)furan-2-carboxylic acid Openeye Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-(trifluoromethyl)furan-2-carboxylic acid CAS Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-(trifluoromethyl)-2-furancarboxylic acid IUPAC Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-(trifluoromethyl)furan-2-carboxylic acid Traditional Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-(trifluoromethyl)-2-furoic acid Formula: C20H12F3NO4 MolecularWeight: 387.30879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCC3=C(OC(=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCC3=C(OC(=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H12F3NO4/c21-20(22,23)18-15(9-17(28-18)19(25)26)11-27-16-7-5-14(6-8-16)13-3-1-12(10-24)2-4-13/h1-9H,11H2,(H,25,26)