(E)-but-2-enedioic acid; 1-(3-methylbut-2-enoxy)-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(3-methylbut-2-enoxy)-3-(propan-2-ylamino)propan-2-ol Openeye Name: fumaric acid; 1-(isopropylamino)-3-(3-methylbut-2-enoxy)propan-2-ol CAS Name: (E)-2-butenedioic acid; 1-(3-methylbut-2-enoxy)-3-(propan-2-ylamino)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(3-methylbut-2-enoxy)-3-(propan-2-ylamino)propan-2-ol Traditional Name: fumaric acid; 1-(isopropylamino)-3-(3-methylbut-2-enoxy)propan-2-ol Formula: C15H27NO6 MolecularWeight: 317.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COCC=C(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COCC=C(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H23NO2.C4H4O4/c1-9(2)5-6-14-8-11(13)7-12-10(3)4;5-3(6)1-2-4(7)8/h5,10-13H,6-8H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+