(E)-but-2-enedioic acid; 2-(2-chloranylphenoxy)-1-piperidin-2-yl-ethanol

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-chloranylphenoxy)-1-piperidin-2-yl-ethanol Openeye Name: 2-(2-chlorophenoxy)-1-(2-piperidyl)ethanol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2-chlorophenoxy)-1-(2-piperidinyl)ethanol IUPAC Name: (E)-but-2-enedioic acid; 2-(2-chlorophenoxy)-1-piperidin-2-ylethanol Traditional Name: 2-(2-chlorophenoxy)-1-(2-piperidyl)ethanol; fumaric acid Formula: C17H22ClNO6 MolecularWeight: 371.81268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(COC2=CC=CC=C2Cl)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCNC(C1)C(COC2=CC=CC=C2Cl)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H18ClNO2.C4H4O4/c14-10-5-1-2-7-13(10)17-9-12(16)11-6-3-4-8-15-11;5-3(6)1-2-4(7)8/h1-2,5,7,11-12,15-16H,3-4,6,8-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+