ethanedioic acid; 2-(furan-2-ylmethylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(furan-2-ylmethylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-furylmethylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(2-furanylmethylamino)-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(furan-2-ylmethylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(2-furfurylamino)-1-[4-(4-methoxyphenyl)piperazino]ethanone; oxalic acid Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNCC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CNCC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O3.C2H2O4/c1-23-16-6-4-15(5-7-16)20-8-10-21(11-9-20)18(22)14-19-13-17-3-2-12-24-17;3-1(4)2(5)6/h2-7,12,19H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)