(E)-but-2-enedioic acid; N-[2-(2,6-dimethylphenoxy)ethyl]propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(2,6-dimethylphenoxy)ethyl]propan-2-amine Openeye Name: N-[2-(2,6-dimethylphenoxy)ethyl]propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-(2,6-dimethylphenoxy)ethyl]-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(2,6-dimethylphenoxy)ethyl]propan-2-amine Traditional Name: 2-(2,6-dimethylphenoxy)ethyl-isopropyl-amine; fumaric acid Formula: C17H25NO5 MolecularWeight: 323.3841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCNC(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCNC(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H21NO.C4H4O4/c1-10(2)14-8-9-15-13-11(3)6-5-7-12(13)4;5-3(6)1-2-4(7)8/h5-7,10,14H,8-9H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+