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

Systemtic Name: (E)-but-2-enedioic acid; 6-[2-phenylmethoxy-2-(4-propylphenyl)piperidin-1-yl]hexanoate Openeye Name: 6-[2-benzyloxy-2-(4-propylphenyl)-1-piperidyl]hexanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-[2-phenylmethoxy-2-(4-propylphenyl)-1-piperidinyl]hexanoate IUPAC Name: (E)-but-2-enedioic acid; 6-[2-phenylmethoxy-2-(4-propylphenyl)piperidin-1-yl]hexanoate Traditional Name: 6-[2-benzoxy-2-(4-propylphenyl)piperidino]hexanoate; fumaric acid Formula: C31H40NO7- MolecularWeight: 538.6518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2(CCCCN2CCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2(CCCCN2CCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H37NO3.C4H4O4/c1-2-11-23-15-17-25(18-16-23)27(31-22-24-12-5-3-6-13-24)19-8-10-21-28(27)20-9-4-7-14-26(29)30;5-3(6)1-2-4(7)8/h3,5-6,12-13,15-18H,2,4,7-11,14,19-22H2,1H3,(H,29,30);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+