[2-(2-phenoxypropanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid

Systemtic Name: [2-(2-phenoxypropanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Openeye Name: [2-(2-phenoxypropanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid CAS Name: [2-[(1-oxo-2-phenoxypropyl)amino]-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid IUPAC Name: [2-(2-phenoxypropanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Traditional Name: [2-(2-phenoxypropanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Formula: C14H19N4O5P MolecularWeight: 354.298221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CN1C=NC=N1)CP(=O)(O)O)OC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(CN1C=NC=N1)CP(=O)(O)O)OC2=CC=CC=C2

InChI

InChI=1S/C14H19N4O5P/c1-11(23-13-5-3-2-4-6-13)14(19)17-12(8-24(20,21)22)7-18-10-15-9-16-18/h2-6,9-12H,7-8H2,1H3,(H,17,19)(H2,20,21,22)