1-(3-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid

Systemtic Name: 1-(3-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Openeye Name: 1-(3-isopropylphenyl)-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid CAS Name: 1-(3-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenoxy]-2-indolecarboxylic acid IUPAC Name: 1-(3-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Traditional Name: 1-m-cumenyl-3-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Formula: C25H20F3NO3 MolecularWeight: 439.42641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)N2C3=CC=CC=C3C(=C2C(=O)O)OC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC(=CC=C1)N2C3=CC=CC=C3C(=C2C(=O)O)OC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H20F3NO3/c1-15(2)16-7-5-9-18(13-16)29-21-12-4-3-11-20(21)23(22(29)24(30)31)32-19-10-6-8-17(14-19)25(26,27)28/h3-15H,1-2H3,(H,30,31)