[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-29-19-4-2-3-16(11-19)13-25-21(27)15-30-22(28)18-7-9-26(10-8-18)20-6-5-17(12-23)14-24-20/h2-6,11,14,18H,7-10,13,15H2,1H3,(H,25,27)