dimethyl 5-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(2-furoyl)piperazino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC

InChI

InChI=1S/C21H23N3O7/c1-29-20(27)14-10-15(21(28)30-2)12-16(11-14)22-18(25)13-23-5-7-24(8-6-23)19(26)17-4-3-9-31-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,22,25)