(E)-but-2-enedioic acid; 4-phenoxypyrrolidin-3-ol

Systemtic Name: (E)-but-2-enedioic acid; 4-phenoxypyrrolidin-3-ol Openeye Name: fumaric acid; 4-phenoxypyrrolidin-3-ol CAS Name: (E)-2-butenedioic acid; 4-phenoxy-3-pyrrolidinol IUPAC Name: (E)-but-2-enedioic acid; 4-phenoxypyrrolidin-3-ol Traditional Name: fumaric acid; 4-phenoxypyrrolidin-3-ol Formula: C14H17NO6 MolecularWeight: 295.28788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1)OC2=CC=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(C(CN1)OC2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H13NO2.C4H4O4/c12-9-6-11-7-10(9)13-8-4-2-1-3-5-8;5-3(6)1-2-4(7)8/h1-5,9-12H,6-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+