2-[(5-bromanylthiophen-2-yl)carbonyl-propan-2-yl-amino]-5-[3-(trifluoromethyl)pyridin-2-yl]oxy-benzoic acid

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)carbonyl-propan-2-yl-amino]-5-[3-(trifluoromethyl)pyridin-2-yl]oxy-benzoic acid Openeye Name: 2-[(5-bromothiophene-2-carbonyl)-isopropyl-amino]-5-[[3-(trifluoromethyl)-2-pyridyl]oxy]benzoic acid CAS Name: 2-[[(5-bromo-2-thiophenyl)-oxomethyl]-propan-2-ylamino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid IUPAC Name: 2-[(5-bromothiophene-2-carbonyl)-propan-2-ylamino]-5-[3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid Traditional Name: 2-[(5-bromothiophene-2-carbonyl)-isopropyl-amino]-5-[[3-(trifluoromethyl)-2-pyridyl]oxy]benzoic acid Formula: C21H16BrF3N2O4S MolecularWeight: 529.32695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(C=C(C=C1)OC2=C(C=CC=N2)C(F)(F)F)C(=O)O)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C)N(C1=C(C=C(C=C1)OC2=C(C=CC=N2)C(F)(F)F)C(=O)O)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C21H16BrF3N2O4S/c1-11(2)27(19(28)16-7-8-17(22)32-16)15-6-5-12(10-13(15)20(29)30)31-18-14(21(23,24)25)4-3-9-26-18/h3-11H,1-2H3,(H,29,30)