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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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