(4-cyano-2-methoxy-phenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (4-cyano-2-methoxy-phenyl) ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H18N4O3/c1-26-18-10-14(11-21)2-4-17(18)27-20(25)16-6-8-24(9-7-16)19-5-3-15(12-22)13-23-19/h2-5,10,13,16H,6-9H2,1H3