ethanedioic acid; (phenylmethyl) 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: ethanedioic acid; (phenylmethyl) 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate; oxalic acid CAS Name: oxalic acid; 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-[(2-pyrimidylamino)methyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2.C2H2O4/c23-18(24-14-16-5-2-1-3-6-16)22-11-7-15(8-12-22)13-21-17-19-9-4-10-20-17;3-1(4)2(5)6/h1-6,9-10,15H,7-8,11-14H2,(H,19,20,21);(H,3,4)(H,5,6)