(E)-but-2-enedioic acid; 2-(2,3-dihydro-1H-inden-4-yloxy)-1-(1-ethylpiperidin-2-yl)ethanol

Systemtic Name: (E)-but-2-enedioic acid; 2-(2,3-dihydro-1H-inden-4-yloxy)-1-(1-ethylpiperidin-2-yl)ethanol Openeye Name: 1-(1-ethyl-2-piperidyl)-2-indan-4-yloxy-ethanol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2,3-dihydro-1H-inden-4-yloxy)-1-(1-ethyl-2-piperidinyl)ethanol IUPAC Name: (E)-but-2-enedioic acid; 2-(2,3-dihydro-1H-inden-4-yloxy)-1-(1-ethylpiperidin-2-yl)ethanol Traditional Name: 1-(1-ethyl-2-piperidyl)-2-indan-4-yloxy-ethanol; fumaric acid Formula: C22H31NO6 MolecularWeight: 405.48464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCC1C(COC2=CC=CC3=C2CCC3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCCCC1C(COC2=CC=CC3=C2CCC3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H27NO2.C4H4O4/c1-2-19-12-4-3-10-16(19)17(20)13-21-18-11-6-8-14-7-5-9-15(14)18;5-3(6)1-2-4(7)8/h6,8,11,16-17,20H,2-5,7,9-10,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+