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

Systemtic Name: (E)-but-2-enedioic acid; 2-phenylmethoxy-4-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide Openeye Name: 2-benzyloxy-4-[3-(1-piperidyl)propoxy]pyridine-3-carboxamidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-phenylmethoxy-4-[3-(1-piperidinyl)propoxy]-3-pyridinecarboximidamide IUPAC Name: (E)-but-2-enedioic acid; 2-phenylmethoxy-4-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide Traditional Name: 2-benzoxy-4-(3-piperidinopropoxy)nicotinamidine; fumaric acid Formula: C25H32N4O6 MolecularWeight: 484.54478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2.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/h1,3-4,8-11H,2,5-7,12-16H2,(H3,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1+