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

Systemtic Name: N-[(E)-2-diethoxyphosphoryl-3-oxidanyl-4-propan-2-yl-hex-4-enyl]pyridine-3-carboxamide Openeye Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-isopropyl-hex-4-enyl]pyridine-3-carboxamide CAS Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-propan-2-ylhex-4-enyl]-3-pyridinecarboxamide IUPAC Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-propan-2-ylhex-4-enyl]pyridine-3-carboxamide Traditional Name: N-[(E)-2-diethoxyphosphoryl-3-hydroxy-4-isopropyl-hex-4-enyl]nicotinamide Formula: C19H31N2O5P MolecularWeight: 398.433601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N2O5P/c1-6-16(14(4)5)18(22)17(27(24,25-7-2)26-8-3)13-21-19(23)15-10-9-11-20-12-15/h6,9-12,14,17-18,22H,7-8,13H2,1-5H3,(H,21,23)/b16-6+