(E)-but-2-enedioic acid; 5-[3-(4-ethynylphenoxy)propyl]-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 5-[3-(4-ethynylphenoxy)propyl]-1H-imidazole Openeye Name: 5-[3-(4-ethynylphenoxy)propyl]-1H-imidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[3-(4-ethynylphenoxy)propyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 5-[3-(4-ethynylphenoxy)propyl]-1H-imidazole Traditional Name: 5-[3-(4-ethynylphenoxy)propyl]-1H-imidazole; fumaric acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)OCCCC2=CN=CN2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C#CC1=CC=C(C=C1)OCCCC2=CN=CN2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N2O.C4H4O4/c1-2-12-5-7-14(8-6-12)17-9-3-4-13-10-15-11-16-13;5-3(6)1-2-4(7)8/h1,5-8,10-11H,3-4,9H2,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+