(E)-but-2-enedioic acid; 6-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]hexanoate

Systemtic Name: (E)-but-2-enedioic acid; 6-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]hexanoate Openeye Name: 6-[2-benzyloxy-2-(4-methoxyphenyl)-1-piperidyl]hexanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-[2-(4-methoxyphenyl)-2-phenylmethoxy-1-piperidinyl]hexanoate IUPAC Name: (E)-but-2-enedioic acid; 6-[2-(4-methoxyphenyl)-2-phenylmethoxypiperidin-1-yl]hexanoate Traditional Name: 6-[2-benzoxy-2-(4-methoxyphenyl)piperidino]hexanoate; fumaric acid Formula: C29H36NO8- MolecularWeight: 526.59804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCCCN2CCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCCCN2CCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H33NO4.C4H4O4/c1-29-23-15-13-22(14-16-23)25(30-20-21-10-4-2-5-11-21)17-7-9-19-26(25)18-8-3-6-12-24(27)28;5-3(6)1-2-4(7)8/h2,4-5,10-11,13-16H,3,6-9,12,17-20H2,1H3,(H,27,28);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+