[2-(octanoylamino)pyridin-3-yl]methylphosphonic acid

Systemtic Name: [2-(octanoylamino)pyridin-3-yl]methylphosphonic acid Openeye Name: [2-(octanoylamino)-3-pyridyl]methylphosphonic acid CAS Name: [2-(1-oxooctylamino)-3-pyridinyl]methylphosphonic acid IUPAC Name: [2-(octanoylamino)pyridin-3-yl]methylphosphonic acid Traditional Name: [2-(caprylylamino)-3-pyridyl]methylphosphonic acid Formula: C14H23N2O4P MolecularWeight: 314.317181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C=CC=N1)CP(=O)(O)O

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C=CC=N1)CP(=O)(O)O

InChI

InChI=1S/C14H23N2O4P/c1-2-3-4-5-6-9-13(17)16-14-12(8-7-10-15-14)11-21(18,19)20/h7-8,10H,2-6,9,11H2,1H3,(H,15,16,17)(H2,18,19,20)