methyl 2-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5/c1-29-18-10-16(22(28)31-3)17(11-19(18)30-2)25-21(27)15-6-8-26(9-7-15)20-5-4-14(12-23)13-24-20/h4-5,10-11,13,15H,6-9H2,1-3H3,(H,25,27)