(E)-but-2-enedioic acid; 1-(5-fluoranyl-1-methyl-indol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-2-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-fluoranyl-1-methyl-indol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-2-one Openeye Name: 1-(5-fluoro-1-methyl-indol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(5-fluoro-1-methyl-3-indolyl)-3-(5-methyl-1H-imidazol-4-yl)-2-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(5-fluoro-1-methylindol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-2-one Traditional Name: 1-(5-fluoro-1-methyl-indol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)acetone; fumaric acid Formula: C20H20FN3O5 MolecularWeight: 401.388303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC(=O)CC2=CN(C3=C2C=C(C=C3)F)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CC(=O)CC2=CN(C3=C2C=C(C=C3)F)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16FN3O.C4H4O4/c1-10-15(19-9-18-10)7-13(21)5-11-8-20(2)16-4-3-12(17)6-14(11)16;5-3(6)1-2-4(7)8/h3-4,6,8-9H,5,7H2,1-2H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+