4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpyridin-2-yl]oxybenzoic acid

Systemtic Name: 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpyridin-2-yl]oxybenzoic acid Openeye Name: 4-[[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2-pyridyl]oxy]benzoic acid CAS Name: 4-[[3-[[4-[3,5-bis(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-2-pyridinyl]oxy]benzoic acid IUPAC Name: 4-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridin-2-yl]oxybenzoic acid Traditional Name: 4-[[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2-pyridyl]oxy]benzoic acid Formula: C25H19F6N3O4 MolecularWeight: 539.426479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H19F6N3O4/c26-24(27,28)16-12-17(25(29,30)31)14-18(13-16)33-8-10-34(11-9-33)22(35)20-2-1-7-32-21(20)38-19-5-3-15(4-6-19)23(36)37/h1-7,12-14H,8-11H2,(H,36,37)