(E)-but-2-enedioic acid; 4-[3-(dimethylamino)-1-phenyl-propoxy]benzamide

Systemtic Name: (E)-but-2-enedioic acid; 4-[3-(dimethylamino)-1-phenyl-propoxy]benzamide Openeye Name: 4-[3-(dimethylamino)-1-phenyl-propoxy]benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[3-(dimethylamino)-1-phenylpropoxy]benzamide IUPAC Name: (E)-but-2-enedioic acid; 4-[3-(dimethylamino)-1-phenylpropoxy]benzamide Traditional Name: 4-[3-(dimethylamino)-1-phenyl-propoxy]benzamide; fumaric acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N2O2.C4H4O4/c1-20(2)13-12-17(14-6-4-3-5-7-14)22-16-10-8-15(9-11-16)18(19)21;5-3(6)1-2-4(7)8/h3-11,17H,12-13H2,1-2H3,(H2,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+