(E)-but-2-enedioic acid; 1-(1-phenylethyl)azetidin-3-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-phenylethyl)azetidin-3-ol Openeye Name: fumaric acid; 1-(1-phenylethyl)azetidin-3-ol CAS Name: (E)-2-butenedioic acid; 1-(1-phenylethyl)-3-azetidinol IUPAC Name: (E)-but-2-enedioic acid; 1-(1-phenylethyl)azetidin-3-ol Traditional Name: fumaric acid; 1-(1-phenylethyl)azetidin-3-ol Formula: C15H19NO5 MolecularWeight: 293.31506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N2CC(C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15NO.C4H4O4/c1-9(12-7-11(13)8-12)10-5-3-2-4-6-10;5-3(6)1-2-4(7)8/h2-6,9,11,13H,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+