(4-cyanophenyl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid (4-cyanobenzyl) ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC=C(C=C2)C#N)C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CC=C(C=C2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C18H18N4O2/c19-12-14-5-7-15(8-6-14)13-24-17(23)16-4-1-2-11-22(16)18-20-9-3-10-21-18/h3,5-10,16H,1-2,4,11,13H2