(E)-but-2-enedioic acid; 2-cyano-N-(4-fluorophenyl)-2-(propylamino)propanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-cyano-N-(4-fluorophenyl)-2-(propylamino)propanamide Openeye Name: 2-cyano-N-(4-fluorophenyl)-2-(propylamino)propanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-cyano-N-(4-fluorophenyl)-2-(propylamino)propanamide IUPAC Name: (E)-but-2-enedioic acid; 2-cyano-N-(4-fluorophenyl)-2-(propylamino)propanamide Traditional Name: 2-cyano-N-(4-fluorophenyl)-2-(propylamino)propionamide; fumaric acid Formula: C17H20FN3O5 MolecularWeight: 365.356203

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)(C#N)C(=O)NC1=CC=C(C=C1)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNC(C)(C#N)C(=O)NC1=CC=C(C=C1)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H16FN3O.C4H4O4/c1-3-8-16-13(2,9-15)12(18)17-11-6-4-10(14)5-7-11;5-3(6)1-2-4(7)8/h4-7,16H,3,8H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+