(E)-but-2-enedioic acid; 1-(6-fluoranylnaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(6-fluoranylnaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Openeye Name: 1-(6-fluoro-1-naphthyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(6-fluoro-1-naphthalenyl)-3-(5-methyl-1H-imidazol-4-yl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(6-fluoronaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Traditional Name: 1-(6-fluoro-1-naphthyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one; fumaric acid Formula: C21H19FN2O5 MolecularWeight: 398.384363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=CC=CC3=C2C=CC(=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=CC=CC3=C2C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H15FN2O.C4H4O4/c1-11-16(20-10-19-11)7-8-17(21)15-4-2-3-12-9-13(18)5-6-14(12)15;5-3(6)1-2-4(7)8/h2-6,9-10H,7-8H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+