(E)-but-2-enedioic acid; 5-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]pentanoate

Systemtic Name: (E)-but-2-enedioic acid; 5-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]pentanoate Openeye Name: 5-[2-benzyloxy-2-(4-methoxyphenyl)-1-piperidyl]pentanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[2-(4-methoxyphenyl)-2-phenylmethoxy-1-piperidinyl]pentanoate IUPAC Name: (E)-but-2-enedioic acid; 5-[2-(4-methoxyphenyl)-2-phenylmethoxypiperidin-1-yl]pentanoate Traditional Name: 5-[2-benzoxy-2-(4-methoxyphenyl)piperidino]valerate; fumaric acid Formula: C28H34NO8- MolecularWeight: 512.57146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCCCN2CCCCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCCCN2CCCCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H31NO4.C4H4O4/c1-28-22-14-12-21(13-15-22)24(29-19-20-9-3-2-4-10-20)16-6-8-18-25(24)17-7-5-11-23(26)27;5-3(6)1-2-4(7)8/h2-4,9-10,12-15H,5-8,11,16-19H2,1H3,(H,26,27);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+