1-[2-[5-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]-2-fluoranyl-phenoxy]ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[5-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]-2-fluoranyl-phenoxy]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-fluoro-phenoxy]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[5-[[5-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl]amino]-2-fluorophenoxy]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-fluorophenoxy]ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-2-fluoro-phenoxy]ethyl]isonipecotic acid Formula: C25H25F3N4O4 MolecularWeight: 502.48561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCOC2=C(C=CC(=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC(F)F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)CCOC2=C(C=CC(=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC(F)F)F

InChI

InChI=1S/C25H25F3N4O4/c26-21-6-3-19(13-22(21)35-12-11-32-9-7-17(8-10-32)23(33)34)31-25-29-14-18(15-30-25)16-1-4-20(5-2-16)36-24(27)28/h1-6,13-15,17,24H,7-12H2,(H,33,34)(H,29,30,31)