(E)-but-2-enedioic acid; 2-phenylmethoxy-4-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride

Systemtic Name: (E)-but-2-enedioic acid; 2-phenylmethoxy-4-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride Openeye Name: 2-benzyloxy-4-[3-(1-piperidyl)propoxy]pyridine-3-carboximidoyl chloride; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-phenylmethoxy-4-[3-(1-piperidinyl)propoxy]-3-pyridinecarboximidoyl chloride IUPAC Name: (E)-but-2-enedioic acid; 2-phenylmethoxy-4-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride Traditional Name: 2-benzoxy-4-(3-piperidinopropoxy)nicotinimidoyl chloride; fumaric acid Formula: C25H30ClN3O6 MolecularWeight: 503.9752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=C(C(=NC=C2)OCC3=CC=CC=C3)C(=N)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=C(C(=NC=C2)OCC3=CC=CC=C3)C(=N)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26ClN3O2.C4H4O4/c22-20(23)19-18(26-15-7-14-25-12-5-2-6-13-25)10-11-24-21(19)27-16-17-8-3-1-4-9-17;5-3(6)1-2-4(7)8/h1,3-4,8-11,23H,2,5-7,12-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+