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

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(2-oxidanylnaphthalen-1-yl)propan-1-one Openeye Name: fumaric acid; 1-(2-hydroxy-1-naphthyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 1-(2-hydroxy-1-naphthalenyl)-3-(5-methyl-1H-imidazol-4-yl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-(2-hydroxynaphthalen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Traditional Name: fumaric acid; 1-(2-hydroxy-1-naphthyl)-3-(5-methyl-1H-imidazol-4-yl)propan-1-one Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=C(C=CC3=CC=CC=C32)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=C(C=CC3=CC=CC=C32)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H16N2O2.C4H4O4/c1-11-14(19-10-18-11)7-9-16(21)17-13-5-3-2-4-12(13)6-8-15(17)20;5-3(6)1-2-4(7)8/h2-6,8,10,20H,7,9H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+