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

Systemtic Name: (E)-but-2-enedioic acid; 1-(3,5-dimethylphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Openeye Name: 1-(3,5-dimethylphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(3,5-dimethylphenyl)-3-(5-methyl-1H-imidazol-4-yl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(3,5-dimethylphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Traditional Name: 1-(3,5-dimethylphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; fumaric acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)CCC2=C(NC=N2)C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)CCC2=C(NC=N2)C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H18N2O.C4H4O4/c1-10-6-11(2)8-13(7-10)15(18)5-4-14-12(3)16-9-17-14;5-3(6)1-2-4(7)8/h6-9H,4-5H2,1-3H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+