(E)-but-2-enedioic acid; [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-yl-methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: (E)-but-2-enedioic acid; [2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone Traditional Name: fumaric acid; [2-(2-imidazolin-2-ylmethylamino)phenyl]-pyrrolidino-methanone Formula: C19H24N4O5 MolecularWeight: 388.41766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2NCC3=NCCN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2NCC3=NCCN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N4O.C4H4O4/c20-15(19-9-3-4-10-19)12-5-1-2-6-13(12)18-11-14-16-7-8-17-14;5-3(6)1-2-4(7)8/h1-2,5-6,18H,3-4,7-11H2,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+