(E)-but-2-enedioic acid; 1-(butylamino)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(butylamino)propan-2-ol Openeye Name: 1-(butylamino)propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(butylamino)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(butylamino)propan-2-ol Traditional Name: 1-(butylamino)propan-2-ol; fumaric acid Formula: C11H21NO5 MolecularWeight: 247.28814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNCC(C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C7H17NO.C4H4O4/c1-3-4-5-8-6-7(2)9;5-3(6)1-2-4(7)8/h7-9H,3-6H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+