[[2-(octanoylamino)pyridin-3-yl]-oxidanyl-methyl]phosphonic acid

Systemtic Name: [[2-(octanoylamino)pyridin-3-yl]-oxidanyl-methyl]phosphonic acid Openeye Name: [hydroxy-[2-(octanoylamino)-3-pyridyl]methyl]phosphonic acid CAS Name: [hydroxy-[2-(1-oxooctylamino)-3-pyridinyl]methyl]phosphonic acid IUPAC Name: [hydroxy-[2-(octanoylamino)pyridin-3-yl]methyl]phosphonic acid Traditional Name: [[2-(caprylylamino)-3-pyridyl]-hydroxy-methyl]phosphonic acid Formula: C14H23N2O5P MolecularWeight: 330.316581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N2O5P/c1-2-3-4-5-6-9-12(17)16-13-11(8-7-10-15-13)14(18)22(19,20)21/h7-8,10,14,18H,2-6,9H2,1H3,(H,15,16,17)(H2,19,20,21)