(E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)piperidin-3-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)piperidin-3-ol Openeye Name: fumaric acid; 1-methyl-4-(p-tolyl)piperidin-3-ol CAS Name: (E)-2-butenedioic acid; 1-methyl-4-(4-methylphenyl)-3-piperidinol IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)piperidin-3-ol Traditional Name: fumaric acid; 1-methyl-4-(p-tolyl)piperidin-3-ol Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCN(CC2O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2CCN(CC2O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19NO.C4H4O4/c1-10-3-5-11(6-4-10)12-7-8-14(2)9-13(12)15;5-3(6)1-2-4(7)8/h3-6,12-13,15H,7-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+