ethanedioic acid; furan-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; furan-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: 2-furanyl-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: furan-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: 2-furyl-[4-(3,4,5-trimethoxybenzyl)piperazino]methanone; oxalic acid Formula: C21H26N2O9 MolecularWeight: 450.43914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O5.C2H2O4/c1-23-16-11-14(12-17(24-2)18(16)25-3)13-20-6-8-21(9-7-20)19(22)15-5-4-10-26-15;3-1(4)2(5)6/h4-5,10-12H,6-9,13H2,1-3H3;(H,3,4)(H,5,6)