(E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one Openeye Name: 1-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)methyl]-2-quinoxalinone IUPAC Name: (E)-but-2-enedioic acid; 1-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one Traditional Name: 1-(2-diethylaminoethyl)-3-p-anisyl-quinoxalin-2-one; fumaric acid Formula: C26H31N3O6 MolecularWeight: 481.54084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27N3O2.C4H4O4/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17;5-3(6)1-2-4(7)8/h6-13H,4-5,14-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+