4-[5-(5-fluoranyl-2-propan-2-yloxy-phenoxy)pentoxy]benzenecarboximidamide; methanesulfonic acid

Systemtic Name: 4-[5-(5-fluoranyl-2-propan-2-yloxy-phenoxy)pentoxy]benzenecarboximidamide; methanesulfonic acid Openeye Name: 4-[5-(5-fluoro-2-isopropoxy-phenoxy)pentoxy]benzamidine; methanesulfonic acid CAS Name: 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide; methanesulfonic acid IUPAC Name: 4-[5-(5-fluoro-2-propan-2-yloxyphenoxy)pentoxy]benzenecarboximidamide; methanesulfonic acid Traditional Name: 4-[5-(5-fluoro-2-isopropoxy-phenoxy)pentoxy]benzamidine; mesylic acid Formula: C22H31FN2O6S MolecularWeight: 470.554743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)F)OCCCCCOC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)F)OCCCCCOC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)O

InChI

InChI=1S/C21H27FN2O3.CH4O3S/c1-15(2)27-19-11-8-17(22)14-20(19)26-13-5-3-4-12-25-18-9-6-16(7-10-18)21(23)24;1-5(2,3)4/h6-11,14-15H,3-5,12-13H2,1-2H3,(H3,23,24);1H3,(H,2,3,4)