2-[3-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]-1-benzofuran-5-carboximidamide dihydrochloride

Systemtic Name: 2-[3-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]-1-benzofuran-5-carboximidamide dihydrochloride Openeye Name: 2-[3-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]benzofuran-5-carboxamidine dihydrochloride CAS Name: 2-[3-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]-5-benzofurancarboximidamide dihydrochloride IUPAC Name: 2-[3-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]-1-benzofuran-5-carboximidamide dihydrochloride Traditional Name: 2-[3-[5-(4-amidinophenoxy)pentoxy]phenyl]benzofuran-5-carboxamidine dihydrochloride Formula: C27H30Cl2N4O3 MolecularWeight: 529.4581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCCOC2=CC=C(C=C2)C(=N)N)C3=CC4=C(O3)C=CC(=C4)C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCCOC2=CC=C(C=C2)C(=N)N)C3=CC4=C(O3)C=CC(=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C27H28N4O3.2ClH/c28-26(29)18-7-10-22(11-8-18)32-13-2-1-3-14-33-23-6-4-5-19(16-23)25-17-21-15-20(27(30)31)9-12-24(21)34-25;;/h4-12,15-17H,1-3,13-14H2,(H3,28,29)(H3,30,31);2*1H