(E)-but-2-enedioic acid; 1-(1,2-dimethylindol-3-yl)-3-(1H-imidazol-5-yl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(1,2-dimethylindol-3-yl)-3-(1H-imidazol-5-yl)propan-1-one Openeye Name: 1-(1,2-dimethylindol-3-yl)-3-(1H-imidazol-5-yl)propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(1,2-dimethyl-3-indolyl)-3-(1H-imidazol-5-yl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(1,2-dimethylindol-3-yl)-3-(1H-imidazol-5-yl)propan-1-one Traditional Name: 1-(1,2-dimethylindol-3-yl)-3-(1H-imidazol-5-yl)propan-1-one; fumaric acid Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C(=O)CCC3=CN=CN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C(=O)CCC3=CN=CN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17N3O.C4H4O4/c1-11-16(13-5-3-4-6-14(13)19(11)2)15(20)8-7-12-9-17-10-18-12;5-3(6)1-2-4(7)8/h3-6,9-10H,7-8H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+