4-[3-[2-[[3-(4-carbamimidoylphenoxy)-2-oxidanyl-propyl]amino]ethylamino]-2-oxidanyl-propoxy]benzenecarboximidamide

Systemtic Name: 4-[3-[2-[[3-(4-carbamimidoylphenoxy)-2-oxidanyl-propyl]amino]ethylamino]-2-oxidanyl-propoxy]benzenecarboximidamide Openeye Name: 4-[3-[2-[[3-(4-carbamimidoylphenoxy)-2-hydroxy-propyl]amino]ethylamino]-2-hydroxy-propoxy]benzamidine CAS Name: 4-[3-[2-[[3-(4-carbamimidoylphenoxy)-2-hydroxypropyl]amino]ethylamino]-2-hydroxypropoxy]benzenecarboximidamide IUPAC Name: 4-[3-[2-[[3-(4-carbamimidoylphenoxy)-2-hydroxypropyl]amino]ethylamino]-2-hydroxypropoxy]benzenecarboximidamide Traditional Name: 4-[3-[2-[[3-(4-amidinophenoxy)-2-hydroxy-propyl]amino]ethylamino]-2-hydroxy-propoxy]benzamidine Formula: C22H32N6O4 MolecularWeight: 444.52728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)OCC(CNCCNCC(COC2=CC=C(C=C2)C(=N)N)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)OCC(CNCCNCC(COC2=CC=C(C=C2)C(=N)N)O)O

InChI

InChI=1S/C22H32N6O4/c23-21(24)15-1-5-19(6-2-15)31-13-17(29)11-27-9-10-28-12-18(30)14-32-20-7-3-16(4-8-20)22(25)26/h1-8,17-18,27-30H,9-14H2,(H3,23,24)(H3,25,26)