(E)-but-2-enedioic acid; N-(1-methylpyrrolidin-3-yl)-N-phenyl-propanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(1-methylpyrrolidin-3-yl)-N-phenyl-propanamide Openeye Name: fumaric acid; N-(1-methylpyrrolidin-3-yl)-N-phenyl-propanamide CAS Name: (E)-2-butenedioic acid; N-(1-methyl-3-pyrrolidinyl)-N-phenylpropanamide IUPAC Name: (E)-but-2-enedioic acid; N-(1-methylpyrrolidin-3-yl)-N-phenylpropanamide Traditional Name: fumaric acid; N-(1-methylpyrrolidin-3-yl)-N-phenyl-propionamide Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(C1)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)N(C1CCN(C1)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20N2O.C4H4O4/c1-3-14(17)16(12-7-5-4-6-8-12)13-9-10-15(2)11-13;5-3(6)1-2-4(7)8/h4-8,13H,3,9-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+