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

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(2-methylnaphthalen-1-yl)propan-1-one Openeye Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(2-methyl-1-naphthyl)propan-1-one CAS Name: (E)-2-butenedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(2-methyl-1-naphthalenyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(2-methylnaphthalen-1-yl)propan-1-one Traditional Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(2-methyl-1-naphthyl)propan-1-one Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)C(=O)CCC3=C(NC=N3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)C(=O)CCC3=C(NC=N3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18N2O.C4H4O4/c1-12-7-8-14-5-3-4-6-15(14)18(12)17(21)10-9-16-13(2)19-11-20-16;5-3(6)1-2-4(7)8/h3-8,11H,9-10H2,1-2H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+