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

Systemtic Name: dimethyl 5-[[5-(pyrrolidin-1-ylmethyl)furan-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[5-(1-pyrrolidinylmethyl)-2-furanyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(pyrrolidinomethyl)-2-furoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)CN3CCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)CN3CCCC3)C(=O)OC

InChI

InChI=1S/C20H22N2O6/c1-26-19(24)13-9-14(20(25)27-2)11-15(10-13)21-18(23)17-6-5-16(28-17)12-22-7-3-4-8-22/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,21,23)