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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=C(C=N2)C3=CC=C(C=C3)OC(F)F)CN4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=C(C=N2)C3=CC=C(C=C3)OC(F)F)CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H26F2N4O3/c1-16-12-21(5-2-19(16)15-31-10-8-18(9-11-31)23(32)33)30-25-28-13-20(14-29-25)17-3-6-22(7-4-17)34-24(26)27/h2-7,12-14,18,24H,8-11,15H2,1H3,(H,32,33)(H,28,29,30)