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

Systemtic Name: 1-[2-[3-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]phenyl]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[3-[[5-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl]amino]phenyl]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]ethyl]isonipecotic acid Formula: C25H26F2N4O3 MolecularWeight: 468.495746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCC2=CC(=CC=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)CCC2=CC(=CC=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC(F)F

InChI

InChI=1S/C25H26F2N4O3/c26-24(27)34-22-6-4-18(5-7-22)20-15-28-25(29-16-20)30-21-3-1-2-17(14-21)8-11-31-12-9-19(10-13-31)23(32)33/h1-7,14-16,19,24H,8-13H2,(H,32,33)(H,28,29,30)