(E)-but-2-enedioic acid; (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanoate

Systemtic Name: (E)-but-2-enedioic acid; (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanoate Openeye Name: fumaric acid; (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate CAS Name: (E)-2-butenedioic acid; 2-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]acetic acid (4-methoxyphenyl) ester IUPAC Name: (E)-but-2-enedioic acid; (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate Traditional Name: fumaric acid; 2-[4-(3,4,5-trimethoxybenzyl)piperazino]acetic acid (4-methoxyphenyl) ester Formula: C31H38N2O14 MolecularWeight: 662.63842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H30N2O6.2C4H4O4/c1-27-18-5-7-19(8-6-18)31-22(26)16-25-11-9-24(10-12-25)15-17-13-20(28-2)23(30-4)21(14-17)29-3;2*5-3(6)1-2-4(7)8/h5-8,13-14H,9-12,15-16H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+