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

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(4-methoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]heptanoic acid Openeye Name: 2-[2-benzyloxy-2-(4-methoxyphenyl)-1-piperidyl]heptanoic acid; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[2-(4-methoxyphenyl)-2-phenylmethoxy-1-piperidinyl]heptanoic acid IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(4-methoxyphenyl)-2-phenylmethoxypiperidin-1-yl]heptanoic acid Traditional Name: 2-[2-benzoxy-2-(4-methoxyphenyl)piperidino]enanthic acid; fumaric acid Formula: C30H39NO8 MolecularWeight: 541.63256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)O)N1CCCCC1(C2=CC=C(C=C2)OC)OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(C(=O)O)N1CCCCC1(C2=CC=C(C=C2)OC)OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H35NO4.C4H4O4/c1-3-4-6-13-24(25(28)29)27-19-10-9-18-26(27,22-14-16-23(30-2)17-15-22)31-20-21-11-7-5-8-12-21;5-3(6)1-2-4(7)8/h5,7-8,11-12,14-17,24H,3-4,6,9-10,13,18-20H2,1-2H3,(H,28,29);1-2H,(H,5,6)(H,7,8)/b;2-1+