N-[(E)-2-diethoxyphosphoryl-6-methoxy-4-methyl-3-oxidanyl-hex-4-enyl]pyridine-4-carboxamide

Systemtic Name: N-[(E)-2-diethoxyphosphoryl-6-methoxy-4-methyl-3-oxidanyl-hex-4-enyl]pyridine-4-carboxamide Openeye Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-6-methoxy-4-methyl-hex-4-enyl]pyridine-4-carboxamide CAS Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-6-methoxy-4-methylhex-4-enyl]-4-pyridinecarboxamide IUPAC Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-6-methoxy-4-methylhex-4-enyl]pyridine-4-carboxamide Traditional Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-6-methoxy-4-methyl-hex-4-enyl]isonicotinamide Formula: C18H29N2O6P MolecularWeight: 400.406421

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CNC(=O)C1=CC=NC=C1)C(C(=CCOC)C)O)OCC

Isomeric SMILES

CCOP(=O)(C(CNC(=O)C1=CC=NC=C1)C(/C(=C/COC)/C)O)OCC

InChI

InChI=1S/C18H29N2O6P/c1-5-25-27(23,26-6-2)16(17(21)14(3)9-12-24-4)13-20-18(22)15-7-10-19-11-8-15/h7-11,16-17,21H,5-6,12-13H2,1-4H3,(H,20,22)/b14-9+