(E)-but-2-enedioic acid; 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-7-phenylmethoxy-1-propan-2-yl-benzimidazole

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-7-phenylmethoxy-1-propan-2-yl-benzimidazole Openeye Name: 7-benzyloxy-2-[4-(1H-imidazol-5-yl)-1-piperidyl]-1-isopropyl-benzimidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[4-(1H-imidazol-5-yl)-1-piperidinyl]-7-phenylmethoxy-1-propan-2-ylbenzimidazole IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-7-phenylmethoxy-1-propan-2-ylbenzimidazole Traditional Name: 7-benzoxy-2-[4-(1H-imidazol-5-yl)piperidino]-1-isopropyl-benzimidazole; fumaric acid Formula: C29H33N5O5 MolecularWeight: 531.60282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=CC=C2OCC3=CC=CC=C3)N=C1N4CCC(CC4)C5=CN=CN5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1C2=C(C=CC=C2OCC3=CC=CC=C3)N=C1N4CCC(CC4)C5=CN=CN5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H29N5O.C4H4O4/c1-18(2)30-24-21(9-6-10-23(24)31-16-19-7-4-3-5-8-19)28-25(30)29-13-11-20(12-14-29)22-15-26-17-27-22;5-3(6)1-2-4(7)8/h3-10,15,17-18,20H,11-14,16H2,1-2H3,(H,26,27);1-2H,(H,5,6)(H,7,8)/b;2-1+