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

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-methoxynaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Openeye Name: fumaric acid; 1-(4-methoxy-1-naphthyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 1-(4-methoxy-1-naphthalenyl)-3-(5-methyl-1H-imidazol-4-yl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(4-methoxynaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Traditional Name: fumaric acid; 1-(4-methoxy-1-naphthyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=CC=C(C3=CC=CC=C32)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=CC=C(C3=CC=CC=C32)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18N2O2.C4H4O4/c1-12-16(20-11-19-12)8-9-17(21)14-7-10-18(22-2)15-6-4-3-5-13(14)15;5-3(6)1-2-4(7)8/h3-7,10-11H,8-9H2,1-2H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+