(E)-but-2-enedioic acid; 2-(2-ethoxyphenoxy)-1-(1-ethylpiperidin-2-yl)ethanol

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-ethoxyphenoxy)-1-(1-ethylpiperidin-2-yl)ethanol Openeye Name: 2-(2-ethoxyphenoxy)-1-(1-ethyl-2-piperidyl)ethanol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2-ethoxyphenoxy)-1-(1-ethyl-2-piperidinyl)ethanol IUPAC Name: (E)-but-2-enedioic acid; 2-(2-ethoxyphenoxy)-1-(1-ethylpiperidin-2-yl)ethanol Traditional Name: 2-(2-ethoxyphenoxy)-1-(1-ethyl-2-piperidyl)ethanol; fumaric acid Formula: C21H31NO7 MolecularWeight: 409.47334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCC1C(COC2=CC=CC=C2OCC)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCCCC1C(COC2=CC=CC=C2OCC)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H27NO3.C4H4O4/c1-3-18-12-8-7-9-14(18)15(19)13-21-17-11-6-5-10-16(17)20-4-2;5-3(6)1-2-4(7)8/h5-6,10-11,14-15,19H,3-4,7-9,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+