(E)-but-2-enedioic acid; 6-chloranyl-3-[1-[[5-(4-fluorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: (E)-but-2-enedioic acid; 6-chloranyl-3-[1-[[5-(4-fluorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 6-chloro-3-[1-[[5-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-piperidyl]-1H-benzimidazol-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-chloro-3-[1-[[5-(4-fluorophenyl)-3-oxolanyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: (E)-but-2-enedioic acid; 6-chloro-3-[1-[[5-(4-fluorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 6-chloro-3-[1-[[5-(4-fluorophenyl)tetrahydrofuran-3-yl]methyl]-4-piperidyl]-1H-benzimidazol-2-one; fumaric acid Formula: C27H29ClFN3O6 MolecularWeight: 545.987063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CC4CC(OC4)C5=CC=C(C=C5)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CC4CC(OC4)C5=CC=C(C=C5)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H25ClFN3O2.C4H4O4/c24-17-3-6-21-20(12-17)26-23(29)28(21)19-7-9-27(10-8-19)13-15-11-22(30-14-15)16-1-4-18(25)5-2-16;5-3(6)1-2-4(7)8/h1-6,12,15,19,22H,7-11,13-14H2,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1+