(E)-but-2-enedioic acid; N-(1-methylpiperidin-4-yl)-N-pyrrol-1-yl-propanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(1-methylpiperidin-4-yl)-N-pyrrol-1-yl-propanamide Openeye Name: fumaric acid; N-(1-methyl-4-piperidyl)-N-pyrrol-1-yl-propanamide CAS Name: (E)-2-butenedioic acid; N-(1-methyl-4-piperidinyl)-N-(1-pyrrolyl)propanamide IUPAC Name: (E)-but-2-enedioic acid; N-(1-methylpiperidin-4-yl)-N-pyrrol-1-ylpropanamide Traditional Name: fumaric acid; N-(1-methyl-4-piperidyl)-N-pyrrol-1-yl-propionamide Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)C)N2C=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)N(C1CCN(CC1)C)N2C=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H21N3O.C4H4O4/c1-3-13(17)16(15-8-4-5-9-15)12-6-10-14(2)11-7-12;5-3(6)1-2-4(7)8/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+