dimethyl 5-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5/c1-30-21(28)16-9-17(22(29)31-2)11-18(10-16)25-20(27)15-5-7-26(8-6-15)19-4-3-14(12-23)13-24-19/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,25,27)