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

Systemtic Name: dimethyl 2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-(2-furylmethyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(2-furanylmethyl)-1-piperazinyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[4-(2-furfuryl)piperazino]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C21H25N3O6/c1-28-20(26)15-5-6-17(21(27)29-2)18(12-15)22-19(25)14-24-9-7-23(8-10-24)13-16-4-3-11-30-16/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,25)