2-[[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one; (E)-but-2-enedioic acid

Systemtic Name: 2-[[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one; (E)-but-2-enedioic acid Openeye Name: 2-[[1-(benzofuran-3-ylmethyl)-4-piperidyl]methyl]isoindolin-1-one; fumaric acid CAS Name: 2-[[1-(3-benzofuranylmethyl)-4-piperidinyl]methyl]-3H-isoindol-1-one; (E)-2-butenedioic acid IUPAC Name: 2-[[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]methyl]-3H-isoindol-1-one; (E)-but-2-enedioic acid Traditional Name: 2-[[1-(benzofuran-3-ylmethyl)-4-piperidyl]methyl]isoindolin-1-one; fumaric acid Formula: C27H28N2O6 MolecularWeight: 476.52102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4=COC5=CC=CC=C54.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4=COC5=CC=CC=C54.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H24N2O2.C4H4O4/c26-23-21-7-2-1-5-18(21)15-25(23)13-17-9-11-24(12-10-17)14-19-16-27-22-8-4-3-6-20(19)22;5-3(6)1-2-4(7)8/h1-8,16-17H,9-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+