2-[3-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]-1-benzofuran-6-carboximidamide dihydrochloride

Systemtic Name: 2-[3-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]-1-benzofuran-6-carboximidamide dihydrochloride Openeye Name: 2-[3-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]benzofuran-6-carboxamidine dihydrochloride CAS Name: 2-[3-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]-6-benzofurancarboximidamide dihydrochloride IUPAC Name: 2-[3-[4-(4-carbamimidoylphenoxy)butoxy]phenyl]-1-benzofuran-6-carboximidamide dihydrochloride Traditional Name: 2-[3-[4-(4-amidinophenoxy)butoxy]phenyl]benzofuran-6-carboxamidine dihydrochloride Formula: C26H28Cl2N4O3 MolecularWeight: 515.43152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCOC2=CC=C(C=C2)C(=N)N)C3=CC4=C(O3)C=C(C=C4)C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCOC2=CC=C(C=C2)C(=N)N)C3=CC4=C(O3)C=C(C=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C26H26N4O3.2ClH/c27-25(28)17-8-10-21(11-9-17)31-12-1-2-13-32-22-5-3-4-18(14-22)23-15-19-6-7-20(26(29)30)16-24(19)33-23;;/h3-11,14-16H,1-2,12-13H2,(H3,27,28)(H3,29,30);2*1H