(E)-but-2-enedioic acid; [1-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-2-yl]methanol

Systemtic Name: (E)-but-2-enedioic acid; [1-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-2-yl]methanol Openeye Name: fumaric acid; [1-(indan-4-yloxymethyl)-2-piperidyl]methanol CAS Name: (E)-2-butenedioic acid; [1-(2,3-dihydro-1H-inden-4-yloxymethyl)-2-piperidinyl]methanol IUPAC Name: (E)-but-2-enedioic acid; [1-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-2-yl]methanol Traditional Name: fumaric acid; [1-(indan-4-yloxymethyl)-2-piperidyl]methanol Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)COC2=CC=CC3=C2CCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CO)COC2=CC=CC3=C2CCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H23NO2.C4H4O4/c18-11-14-7-1-2-10-17(14)12-19-16-9-4-6-13-5-3-8-15(13)16;5-3(6)1-2-4(7)8/h4,6,9,14,18H,1-3,5,7-8,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+