(E)-but-2-enedioic acid; [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone

Systemtic Name: (E)-but-2-enedioic acid; [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone Openeye Name: fumaric acid; [4-(1H-imidazol-5-yl)-1-piperidyl]-(1H-indol-3-yl)methanone CAS Name: (E)-2-butenedioic acid; [4-(1H-imidazol-5-yl)-1-piperidinyl]-(1H-indol-3-yl)methanone IUPAC Name: (E)-but-2-enedioic acid; [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1H-indol-3-yl)methanone Traditional Name: fumaric acid; [4-(1H-imidazol-5-yl)piperidino]-(1H-indol-3-yl)methanone Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN=CN2)C(=O)C3=CNC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN=CN2)C(=O)C3=CNC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H18N4O.C4H4O4/c22-17(14-9-19-15-4-2-1-3-13(14)15)21-7-5-12(6-8-21)16-10-18-11-20-16;5-3(6)1-2-4(7)8/h1-4,9-12,19H,5-8H2,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+