methyl N-[5-butyl-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[5-butyl-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamate Openeye Name: methyl N-[5-butyl-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamate CAS Name: N-[5-butyl-1-(phosphonooxymethyl)-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-butyl-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamate Traditional Name: N-[5-butyl-1-(phosphonooxymethyl)benzimidazol-2-yl]carbamic acid methyl ester Formula: C14H20N3O6P MolecularWeight: 357.298861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)(O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)(O)O

InChI

InChI=1S/C14H20N3O6P/c1-3-4-5-10-6-7-12-11(8-10)15-13(16-14(18)22-2)17(12)9-23-24(19,20)21/h6-8H,3-5,9H2,1-2H3,(H,15,16,18)(H2,19,20,21)