2-(4-propan-2-ylphenoxy)-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-(4-propan-2-ylphenoxy)-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioic acid Openeye Name: 2-(4-isopropylphenoxy)-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioic acid CAS Name: 2-(4-propan-2-ylphenoxy)-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-(4-propan-2-ylphenoxy)-2-[[3-(trifluoromethyl)phenyl]methyl]propanedioic acid Traditional Name: 2-(4-isopropylphenoxy)-2-[3-(trifluoromethyl)benzyl]malonic acid Formula: C20H19F3O5 MolecularWeight: 396.35707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC(CC2=CC(=CC=C2)C(F)(F)F)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC(CC2=CC(=CC=C2)C(F)(F)F)(C(=O)O)C(=O)O

InChI

InChI=1S/C20H19F3O5/c1-12(2)14-6-8-16(9-7-14)28-19(17(24)25,18(26)27)11-13-4-3-5-15(10-13)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25)(H,26,27)