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

Systemtic Name: (E)-but-2-enedioic acid; 4-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]butanoate Openeye Name: 4-[2-benzyloxy-2-(4-methoxyphenyl)-1-piperidyl]butanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[2-(4-methoxyphenyl)-2-phenylmethoxy-1-piperidinyl]butanoate IUPAC Name: (E)-but-2-enedioic acid; 4-[2-(4-methoxyphenyl)-2-phenylmethoxypiperidin-1-yl]butanoate Traditional Name: 4-[2-benzoxy-2-(4-methoxyphenyl)piperidino]butyrate; fumaric acid Formula: C27H32NO8- MolecularWeight: 498.54488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCCCN2CCCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCCCN2CCCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H29NO4.C4H4O4/c1-27-21-13-11-20(12-14-21)23(28-18-19-8-3-2-4-9-19)15-5-6-16-24(23)17-7-10-22(25)26;5-3(6)1-2-4(7)8/h2-4,8-9,11-14H,5-7,10,15-18H2,1H3,(H,25,26);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+