hexyl N-(2-phosphonooxy-1-pyridin-3-yl-ethyl)carbamate

Systemtic Name: hexyl N-(2-phosphonooxy-1-pyridin-3-yl-ethyl)carbamate Openeye Name: hexyl N-[2-phosphonooxy-1-(3-pyridyl)ethyl]carbamate CAS Name: N-[2-phosphonooxy-1-(3-pyridinyl)ethyl]carbamic acid hexyl ester IUPAC Name: hexyl N-(2-phosphonooxy-1-pyridin-3-ylethyl)carbamate Traditional Name: N-[2-phosphonooxy-1-(3-pyridyl)ethyl]carbamic acid hexyl ester Formula: C14H23N2O6P MolecularWeight: 346.315981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)NC(COP(=O)(O)O)C1=CN=CC=C1

Isomeric SMILES

CCCCCCOC(=O)NC(COP(=O)(O)O)C1=CN=CC=C1

InChI

InChI=1S/C14H23N2O6P/c1-2-3-4-5-9-21-14(17)16-13(11-22-23(18,19)20)12-7-6-8-15-10-12/h6-8,10,13H,2-5,9,11H2,1H3,(H,16,17)(H2,18,19,20)