(E)-but-2-enedioic acid; 2-(2,4-dimethylphenoxy)-1-piperidin-2-yl-ethanol

Systemtic Name: (E)-but-2-enedioic acid; 2-(2,4-dimethylphenoxy)-1-piperidin-2-yl-ethanol Openeye Name: 2-(2,4-dimethylphenoxy)-1-(2-piperidyl)ethanol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2,4-dimethylphenoxy)-1-(2-piperidinyl)ethanol IUPAC Name: (E)-but-2-enedioic acid; 2-(2,4-dimethylphenoxy)-1-piperidin-2-ylethanol Traditional Name: 2-(2,4-dimethylphenoxy)-1-(2-piperidyl)ethanol; fumaric acid Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C2CCCCN2)O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(C2CCCCN2)O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H23NO2.C4H4O4/c1-11-6-7-15(12(2)9-11)18-10-14(17)13-5-3-4-8-16-13;5-3(6)1-2-4(7)8/h6-7,9,13-14,16-17H,3-5,8,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+