dimethyl 5-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-cyanoethyl(3-pyridylmethyl)carbamoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-cyanoethyl(3-pyridinylmethyl)amino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-cyanoethyl(3-pyridylmethyl)carbamoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N(CCC#N)CC2=CN=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N(CCC#N)CC2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C20H20N4O5/c1-28-18(25)15-9-16(19(26)29-2)11-17(10-15)23-20(27)24(8-4-6-21)13-14-5-3-7-22-12-14/h3,5,7,9-12H,4,8,13H2,1-2H3,(H,23,27)