1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: 1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: 1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(6-phenyl-4-pyrimidinyl)-4-piperidinecarboxylate IUPAC Name: 1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(6-phenylpyrimidin-4-yl)isonipecotate Formula: C16H16N3O2- MolecularWeight: 282.31714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3O2/c20-16(21)13-6-8-19(9-7-13)15-10-14(17-11-18-15)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,20,21)/p-1