methyl N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-6-butyl-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-6-butyl-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-butyl-1-(ditert-butoxyphosphoryloxymethyl)benzimidazol-2-yl]carbamate CAS Name: N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-6-butyl-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]-6-butylbenzimidazol-2-yl]carbamate Traditional Name: N-[6-butyl-1-(ditert-butoxyphosphoryloxymethyl)benzimidazol-2-yl]carbamic acid methyl ester Formula: C22H36N3O6P MolecularWeight: 469.511501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(N2COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(N2COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC

InChI

InChI=1S/C22H36N3O6P/c1-9-10-11-16-12-13-17-18(14-16)25(19(23-17)24-20(26)28-8)15-29-32(27,30-21(2,3)4)31-22(5,6)7/h12-14H,9-11,15H2,1-8H3,(H,23,24,26)