(E)-but-2-enedioic acid; 4-(2,3-dimethylphenoxy)piperidin-3-ol

Systemtic Name: (E)-but-2-enedioic acid; 4-(2,3-dimethylphenoxy)piperidin-3-ol Openeye Name: 4-(2,3-dimethylphenoxy)piperidin-3-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(2,3-dimethylphenoxy)-3-piperidinol IUPAC Name: (E)-but-2-enedioic acid; 4-(2,3-dimethylphenoxy)piperidin-3-ol Traditional Name: 4-(2,3-dimethylphenoxy)piperidin-3-ol; fumaric acid Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2CCNCC2O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)OC2CCNCC2O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19NO2.C4H4O4/c1-9-4-3-5-12(10(9)2)16-13-6-7-14-8-11(13)15;5-3(6)1-2-4(7)8/h3-5,11,13-15H,6-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+