ethanedioic acid; methyl 4-[3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate; oxalic acid CAS Name: 4-[3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-hydroxypropoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxypropoxy]benzoate; oxalic acid Traditional Name: 4-[3-[4-(2-furoyl)piperazino]-2-hydroxy-propoxy]benzoic acid methyl ester; oxalic acid Formula: C22H26N2O10 MolecularWeight: 478.44924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CO3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CO3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O6.C2H2O4/c1-26-20(25)15-4-6-17(7-5-15)28-14-16(23)13-21-8-10-22(11-9-21)19(24)18-3-2-12-27-18;3-1(4)2(5)6/h2-7,12,16,23H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)