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

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-naphthalen-2-yl-propan-1-one Openeye Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(2-naphthyl)propan-1-one CAS Name: (E)-2-butenedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(2-naphthalenyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-naphthalen-2-ylpropan-1-one Traditional Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(2-naphthyl)propan-1-one Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=CC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=CC3=CC=CC=C3C=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H16N2O.C4H4O4/c1-12-16(19-11-18-12)8-9-17(20)15-7-6-13-4-2-3-5-14(13)10-15;5-3(6)1-2-4(7)8/h2-7,10-11H,8-9H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+