(E)-but-2-enedioic acid; 3-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]propanoate

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]propanoate Openeye Name: 3-[2-benzyloxy-2-(4-methoxyphenyl)-1-piperidyl]propanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[2-(4-methoxyphenyl)-2-phenylmethoxy-1-piperidinyl]propanoate IUPAC Name: (E)-but-2-enedioic acid; 3-[2-(4-methoxyphenyl)-2-phenylmethoxypiperidin-1-yl]propanoate Traditional Name: 3-[2-benzoxy-2-(4-methoxyphenyl)piperidino]propionate; fumaric acid Formula: C26H30NO8- MolecularWeight: 484.5183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCCCN2CCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCCCN2CCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27NO4.C4H4O4/c1-26-20-11-9-19(10-12-20)22(27-17-18-7-3-2-4-8-18)14-5-6-15-23(22)16-13-21(24)25;5-3(6)1-2-4(7)8/h2-4,7-12H,5-6,13-17H2,1H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+