1-[2-[3-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]phenoxy]ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[3-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]phenoxy]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenoxy]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[3-[[5-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl]amino]phenoxy]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenoxy]ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenoxy]ethyl]isonipecotic acid Formula: C25H26F2N4O4 MolecularWeight: 484.495146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26F2N4O4/c26-24(27)35-21-6-4-17(5-7-21)19-15-28-25(29-16-19)30-20-2-1-3-22(14-20)34-13-12-31-10-8-18(9-11-31)23(32)33/h1-7,14-16,18,24H,8-13H2,(H,32,33)(H,28,29,30)