3-[[4-[5,5,5-tris(fluoranyl)-1-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]pentoxy]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[5,5,5-tris(fluoranyl)-1-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]pentoxy]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridyl]pentoxy]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentoxy]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]pentoxy]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridyl]pentoxy]benzoyl]amino]propionic acid Formula: C27H24F6N2O4 MolecularWeight: 554.480879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=C(C=C2)C(CCCC(F)(F)F)OC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC=C(C=C2)C(CCCC(F)(F)F)OC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C27H24F6N2O4/c28-26(29,30)14-1-2-23(39-21-10-5-18(6-11-21)25(38)34-15-13-24(36)37)19-7-12-22(35-16-19)17-3-8-20(9-4-17)27(31,32)33/h3-12,16,23H,1-2,13-15H2,(H,34,38)(H,36,37)