(E)-but-2-enedioic acid; 8-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]octanoate

Systemtic Name: (E)-but-2-enedioic acid; 8-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]octanoate Openeye Name: 8-[2-benzyloxy-2-(4-methoxyphenyl)-1-piperidyl]octanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 8-[2-(4-methoxyphenyl)-2-phenylmethoxy-1-piperidinyl]octanoate IUPAC Name: (E)-but-2-enedioic acid; 8-[2-(4-methoxyphenyl)-2-phenylmethoxypiperidin-1-yl]octanoate Traditional Name: 8-[2-benzoxy-2-(4-methoxyphenyl)piperidino]caprylate; fumaric acid Formula: C31H40NO8- MolecularWeight: 554.6512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCCCN2CCCCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCCCN2CCCCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H37NO4.C4H4O4/c1-31-25-17-15-24(16-18-25)27(32-22-23-12-6-5-7-13-23)19-9-11-21-28(27)20-10-4-2-3-8-14-26(29)30;5-3(6)1-2-4(7)8/h5-7,12-13,15-18H,2-4,8-11,14,19-22H2,1H3,(H,29,30);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+