(4-chlorophenyl)methyl 4-[[(5-fluoranylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 4-[[(5-fluoranylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: (4-chlorophenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(5-fluoro-2-pyrimidinyl)amino]methyl]-1-piperidinecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid (4-chlorobenzyl) ester Formula: C18H20ClFN4O2 MolecularWeight: 378.828403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=C(C=N2)F)C(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1CNC2=NC=C(C=N2)F)C(=O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClFN4O2/c19-15-3-1-14(2-4-15)12-26-18(25)24-7-5-13(6-8-24)9-21-17-22-10-16(20)11-23-17/h1-4,10-11,13H,5-9,12H2,(H,21,22,23)