(E)-but-2-enedioic acid; 2,2-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2,2-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one Openeye Name: 2,2-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2,2-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 2,2-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one Traditional Name: 2,2-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one; fumaric acid Formula: C15H23NO5 MolecularWeight: 297.34682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO.C4H4O4/c1-11(2,3)10(13)9-5-7-12(4)8-6-9;5-3(6)1-2-4(7)8/h5H,6-8H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+