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

Systemtic Name: dimethyl 5-[[5-(piperidin-1-ylmethyl)furan-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-(1-piperidylmethyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[5-(1-piperidinylmethyl)-2-furanyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(piperidinomethyl)-2-furoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)CN3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)CN3CCCCC3)C(=O)OC

InChI

InChI=1S/C21H24N2O6/c1-27-20(25)14-10-15(21(26)28-2)12-16(11-14)22-19(24)18-7-6-17(29-18)13-23-8-4-3-5-9-23/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,22,24)