(E)-but-2-enedioic acid; N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-yl-propanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-yl-propanamide Openeye Name: fumaric acid; N-[1-methyl-2-(1-piperidyl)ethyl]-N-(2-pyridyl)propanamide CAS Name: (E)-2-butenedioic acid; N-[1-(1-piperidinyl)propan-2-yl]-N-(2-pyridinyl)propanamide IUPAC Name: (E)-but-2-enedioic acid; N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide Traditional Name: fumaric acid; N-(1-methyl-2-piperidino-ethyl)-N-(2-pyridyl)propionamide Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+