(E)-but-2-enedioic acid; [2-(2-chloranylphenoxy)-1-methyl-piperidin-2-yl]methanol

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1(CO)OC2=CC=CC=C2Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCCC1(CO)OC2=CC=CC=C2Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H18ClNO2.C4H4O4/c1-15-9-5-4-8-13(15,10-16)17-12-7-3-2-6-11(12)14;5-3(6)1-2-4(7)8/h2-3,6-7,16H,4-5,8-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+