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

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Openeye Name: fumaric acid; 1-(2-methoxyphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 1-(2-methoxyphenyl)-3-(5-methyl-1H-imidazol-4-yl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(2-methoxyphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Traditional Name: fumaric acid; 1-(2-methoxyphenyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=CC=CC=C2OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=CC=CC=C2OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H16N2O2.C4H4O4/c1-10-12(16-9-15-10)7-8-13(17)11-5-3-4-6-14(11)18-2;5-3(6)1-2-4(7)8/h3-6,9H,7-8H2,1-2H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+