2-[4-[3-[4-(cyanomethyl)phenoxy]-2-octadecoxy-propoxy]phenyl]-N'-oxidanyl-ethanimidamide

Systemtic Name: 2-[4-[3-[4-(cyanomethyl)phenoxy]-2-octadecoxy-propoxy]phenyl]-N'-oxidanyl-ethanimidamide Openeye Name: 2-[4-[3-[4-(cyanomethyl)phenoxy]-2-octadecoxy-propoxy]phenyl]-N'-hydroxy-acetamidine CAS Name: 2-[4-[3-[4-(cyanomethyl)phenoxy]-2-octadecoxypropoxy]phenyl]-N'-hydroxyethanimidamide IUPAC Name: 2-[4-[3-[4-(cyanomethyl)phenoxy]-2-octadecoxypropoxy]phenyl]-N'-hydroxyethanimidamide Traditional Name: 2-[4-[3-[4-(cyanomethyl)phenoxy]-2-stearyloxy-propoxy]phenyl]-N'-hydroxy-acetamidine Formula: C37H57N3O4 MolecularWeight: 607.86618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(COC1=CC=C(C=C1)CC#N)COC2=CC=C(C=C2)CC(=NO)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(COC1=CC=C(C=C1)CC#N)COC2=CC=C(C=C2)C/C(=N/O)/N

InChI

InChI=1S/C37H57N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-42-36(30-43-34-22-18-32(19-23-34)26-27-38)31-44-35-24-20-33(21-25-35)29-37(39)40-41/h18-25,36,41H,2-17,26,28-31H2,1H3,(H2,39,40)