(E)-but-2-enedioic acid; N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide Openeye Name: fumaric acid; N-(3-morpholinopropyl)pyridine-4-carboxamide CAS Name: (E)-2-butenedioic acid; N-[3-(4-morpholinyl)propyl]-4-pyridinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide Traditional Name: fumaric acid; N-(3-morpholinopropyl)isonicotinamide Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC=NC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC=NC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19N3O2.C4H4O4/c17-13(12-2-5-14-6-3-12)15-4-1-7-16-8-10-18-11-9-16;5-3(6)1-2-4(7)8/h2-3,5-6H,1,4,7-11H2,(H,15,17);1-2H,(H,5,6)(H,7,8)/b;2-1+