4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; ethanoic acid

Systemtic Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; ethanoic acid Openeye Name: acetic acid; 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine CAS Name: acetic acid; 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide IUPAC Name: acetic acid; 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide Traditional Name: acetic acid; 4-[5-(4-amidinophenoxy)pentoxy]benzamidine Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H24N4O2.C2H4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;1-2(3)4/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);1H3,(H,3,4)