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

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]ethanoate Openeye Name: 2-[2-benzyloxy-2-(4-methoxyphenyl)-1-piperidyl]acetate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[2-(4-methoxyphenyl)-2-phenylmethoxy-1-piperidinyl]acetate IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(4-methoxyphenyl)-2-phenylmethoxypiperidin-1-yl]acetate Traditional Name: 2-[2-benzoxy-2-(4-methoxyphenyl)piperidino]acetate; fumaric acid Formula: C25H28NO8- MolecularWeight: 470.49172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCCCN2CC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCCCN2CC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H25NO4.C4H4O4/c1-25-19-11-9-18(10-12-19)21(26-16-17-7-3-2-4-8-17)13-5-6-14-22(21)15-20(23)24;5-3(6)1-2-4(7)8/h2-4,7-12H,5-6,13-16H2,1H3,(H,23,24);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+