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

Systemtic Name: (E)-but-2-enedioic acid; 4-(2-ethoxyphenoxy)pyrrolidin-3-ol Openeye Name: 4-(2-ethoxyphenoxy)pyrrolidin-3-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(2-ethoxyphenoxy)-3-pyrrolidinol IUPAC Name: (E)-but-2-enedioic acid; 4-(2-ethoxyphenoxy)pyrrolidin-3-ol Traditional Name: 4-(2-ethoxyphenoxy)pyrrolidin-3-ol; fumaric acid Formula: C16H21NO7 MolecularWeight: 339.34044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2CNCC2O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1OC2CNCC2O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H17NO3.C4H4O4/c1-2-15-10-5-3-4-6-11(10)16-12-8-13-7-9(12)14;5-3(6)1-2-4(7)8/h3-6,9,12-14H,2,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+