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

Systemtic Name: [2-(heptylcarbamoylamino)pyridin-3-yl]methylphosphonic acid Openeye Name: [2-(heptylcarbamoylamino)-3-pyridyl]methylphosphonic acid CAS Name: [2-[[(heptylamino)-oxomethyl]amino]-3-pyridinyl]methylphosphonic acid IUPAC Name: [2-(heptylcarbamoylamino)pyridin-3-yl]methylphosphonic acid Traditional Name: [2-(heptylcarbamoylamino)-3-pyridyl]methylphosphonic acid Formula: C14H24N3O4P MolecularWeight: 329.331821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N3O4P/c1-2-3-4-5-6-9-16-14(18)17-13-12(8-7-10-15-13)11-22(19,20)21/h7-8,10H,2-6,9,11H2,1H3,(H2,19,20,21)(H2,15,16,17,18)