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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CO3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CO3)OC)OC.C(=O)(C(=O)O)O

InChI

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