(E)-but-2-enedioic acid; 1-(1-methylpyrrolidin-3-yl)-2-phenoxy-ethanol

Systemtic Name: (E)-but-2-enedioic acid; 1-(1-methylpyrrolidin-3-yl)-2-phenoxy-ethanol Openeye Name: fumaric acid; 1-(1-methylpyrrolidin-3-yl)-2-phenoxy-ethanol CAS Name: (E)-2-butenedioic acid; 1-(1-methyl-3-pyrrolidinyl)-2-phenoxyethanol IUPAC Name: (E)-but-2-enedioic acid; 1-(1-methylpyrrolidin-3-yl)-2-phenoxyethanol Traditional Name: fumaric acid; 1-(1-methylpyrrolidin-3-yl)-2-phenoxy-ethanol Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)C(COC2=CC=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C1)C(COC2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19NO2.C4H4O4/c1-14-8-7-11(9-14)13(15)10-16-12-5-3-2-4-6-12;5-3(6)1-2-4(7)8/h2-6,11,13,15H,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+