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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC=CC=C2C#N)C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CC=CC=C2C#N)C3=NC=CC=N3

InChI

InChI=1S/C18H18N4O2/c19-12-14-6-1-2-7-15(14)13-24-17(23)16-8-3-4-11-22(16)18-20-9-5-10-21-18/h1-2,5-7,9-10,16H,3-4,8,11,13H2