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

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-phenyl-propan-1-one Openeye Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-phenyl-propan-1-one CAS Name: (E)-2-butenedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-phenyl-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-phenylpropan-1-one Traditional Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-phenyl-propan-1-one Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H14N2O.C4H4O4/c1-10-12(15-9-14-10)7-8-13(16)11-5-3-2-4-6-11;5-3(6)1-2-4(7)8/h2-6,9H,7-8H2,1H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+