(E)-but-2-enedioic acid; 6-[2-(4-ethoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]hexanoate

Systemtic Name: (E)-but-2-enedioic acid; 6-[2-(4-ethoxyphenyl)-2-phenylmethoxy-piperidin-1-yl]hexanoate Openeye Name: 6-[2-benzyloxy-2-(4-ethoxyphenyl)-1-piperidyl]hexanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-[2-(4-ethoxyphenyl)-2-phenylmethoxy-1-piperidinyl]hexanoate IUPAC Name: (E)-but-2-enedioic acid; 6-[2-(4-ethoxyphenyl)-2-phenylmethoxypiperidin-1-yl]hexanoate Traditional Name: 6-(2-benzoxy-2-p-phenetyl-piperidino)hexanoate; fumaric acid Formula: C30H38NO8- MolecularWeight: 540.62462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2(CCCCN2CCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2(CCCCN2CCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H35NO4.C4H4O4/c1-2-30-24-16-14-23(15-17-24)26(31-21-22-11-5-3-6-12-22)18-8-10-20-27(26)19-9-4-7-13-25(28)29;5-3(6)1-2-4(7)8/h3,5-6,11-12,14-17H,2,4,7-10,13,18-21H2,1H3,(H,28,29);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+