(4-chlorophenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Openeye Name: (4-chlorophenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(2-pyrimidylamino)methyl]piperidine-1-carboxylic acid (4-chlorobenzyl) ester Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2/c19-16-4-2-15(3-5-16)13-25-18(24)23-10-6-14(7-11-23)12-22-17-20-8-1-9-21-17/h1-5,8-9,14H,6-7,10-13H2,(H,20,21,22)