1-[5-(4-chlorophenyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-(4-chlorophenyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-(4-chlorophenyl)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-(4-chlorophenyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(4-chlorophenyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-(4-chlorophenyl)pyrimidin-2-yl]isonipecotic acid Formula: C16H16ClN3O2 MolecularWeight: 317.77014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=C(C=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=C(C=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClN3O2/c17-14-3-1-11(2-4-14)13-9-18-16(19-10-13)20-7-5-12(6-8-20)15(21)22/h1-4,9-10,12H,5-8H2,(H,21,22)