N-[(E)-2-diethoxyphosphoryl-4-methyl-3-oxidanyl-hex-4-enyl]pyridine-3-carboxamide

Systemtic Name: N-[(E)-2-diethoxyphosphoryl-4-methyl-3-oxidanyl-hex-4-enyl]pyridine-3-carboxamide Openeye Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-methyl-hex-4-enyl]pyridine-3-carboxamide CAS Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-methylhex-4-enyl]-3-pyridinecarboxamide IUPAC Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-methylhex-4-enyl]pyridine-3-carboxamide Traditional Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-methyl-hex-4-enyl]nicotinamide Formula: C17H27N2O5P MolecularWeight: 370.380441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CNC(=O)C1=CN=CC=C1)C(C(=CC)C)O)OCC

Isomeric SMILES

CCOP(=O)(C(CNC(=O)C1=CN=CC=C1)C(/C(=C/C)/C)O)OCC

InChI

InChI=1S/C17H27N2O5P/c1-5-13(4)16(20)15(25(22,23-6-2)24-7-3)12-19-17(21)14-9-8-10-18-11-14/h5,8-11,15-16,20H,6-7,12H2,1-4H3,(H,19,21)/b13-5+