(E)-but-2-enedioic acid; 1-(1,7-dimethylindol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-2-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(1,7-dimethylindol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-2-one Openeye Name: 1-(1,7-dimethylindol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(1,7-dimethyl-3-indolyl)-3-(5-methyl-1H-imidazol-4-yl)-2-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(1,7-dimethylindol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-2-one Traditional Name: 1-(1,7-dimethylindol-3-yl)-3-(5-methyl-1H-imidazol-4-yl)acetone; fumaric acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C=C2CC(=O)CC3=C(NC=N3)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N(C=C2CC(=O)CC3=C(NC=N3)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N3O.C4H4O4/c1-11-5-4-6-15-13(9-20(3)17(11)15)7-14(21)8-16-12(2)18-10-19-16;5-3(6)1-2-4(7)8/h4-6,9-10H,7-8H2,1-3H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+