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

Systemtic Name: 2-[[1-[(2-bromanyl-1-benzofuran-3-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one; (E)-but-2-enedioic acid Openeye Name: 2-[[1-[(2-bromobenzofuran-3-yl)methyl]-4-piperidyl]methyl]isoindolin-1-one; fumaric acid CAS Name: 2-[[1-[(2-bromo-3-benzofuranyl)methyl]-4-piperidinyl]methyl]-3H-isoindol-1-one; (E)-2-butenedioic acid IUPAC Name: 2-[[1-[(2-bromo-1-benzofuran-3-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one; (E)-but-2-enedioic acid Traditional Name: 2-[[1-[(2-bromobenzofuran-3-yl)methyl]-4-piperidyl]methyl]isoindolin-1-one; fumaric acid Formula: C27H27BrN2O6 MolecularWeight: 555.41708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4=C(OC5=CC=CC=C54)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4=C(OC5=CC=CC=C54)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H23BrN2O2.C4H4O4/c24-22-20(19-7-3-4-8-21(19)28-22)15-25-11-9-16(10-12-25)13-26-14-17-5-1-2-6-18(17)23(26)27;5-3(6)1-2-4(7)8/h1-8,16H,9-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+