N'-butyl-4-[5-[4-(N'-butylcarbamimidoyl)phenoxy]pentoxy]benzenecarboximidamide

Systemtic Name: N'-butyl-4-[5-[4-(N'-butylcarbamimidoyl)phenoxy]pentoxy]benzenecarboximidamide Openeye Name: N'-butyl-4-[5-[4-(N'-butylcarbamimidoyl)phenoxy]pentoxy]benzamidine CAS Name: 4-[5-[4-[amino(butylimino)methyl]phenoxy]pentoxy]-N'-butylbenzenecarboximidamide IUPAC Name: N'-butyl-4-[5-[4-(N'-butylcarbamimidoyl)phenoxy]pentoxy]benzenecarboximidamide Traditional Name: N'-butyl-4-[5-[4-(N'-butylamidino)phenoxy]pentoxy]benzamidine Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)C(=NCCCC)N)N

Isomeric SMILES

CCCCN=C(C1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)C(=NCCCC)N)N

InChI

InChI=1S/C27H40N4O2/c1-3-5-18-30-26(28)22-10-14-24(15-11-22)32-20-8-7-9-21-33-25-16-12-23(13-17-25)27(29)31-19-6-4-2/h10-17H,3-9,18-21H2,1-2H3,(H2,28,30)(H2,29,31)