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

Systemtic Name: (4-cyclopropylphenyl)methyl 4-[[(5-fluoranylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: (4-cyclopropylphenyl)methyl 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(5-fluoro-2-pyrimidinyl)amino]methyl]-1-piperidinecarboxylic acid (4-cyclopropylphenyl)methyl ester IUPAC Name: (4-cyclopropylphenyl)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-cyclopropylbenzyl) ester Formula: C21H25FN4O2 MolecularWeight: 384.447203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC=C(C=C2)COC(=O)N3CCC(CC3)CNC4=NC=C(C=N4)F

Isomeric SMILES

C1CC1C2=CC=C(C=C2)COC(=O)N3CCC(CC3)CNC4=NC=C(C=N4)F

InChI

InChI=1S/C21H25FN4O2/c22-19-12-24-20(25-13-19)23-11-15-7-9-26(10-8-15)21(27)28-14-16-1-3-17(4-2-16)18-5-6-18/h1-4,12-13,15,18H,5-11,14H2,(H,23,24,25)