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

Systemtic Name: 1-[[3-[[5-[4-[bis(fluoranyl)methoxy]phenyl]pyrimidin-2-yl]amino]phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-[[5-[4-(difluoromethoxy)phenyl]-2-pyrimidinyl]amino]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzyl]isonipecotic acid Formula: C24H24F2N4O3 MolecularWeight: 454.469166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC(=CC=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC(=CC=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC(F)F

InChI

InChI=1S/C24H24F2N4O3/c25-23(26)33-21-6-4-17(5-7-21)19-13-27-24(28-14-19)29-20-3-1-2-16(12-20)15-30-10-8-18(9-11-30)22(31)32/h1-7,12-14,18,23H,8-11,15H2,(H,31,32)(H,27,28,29)