2-[4-[3-(5-phenyl-1,2-oxazol-4-yl)propanoylamino]phenyl]propan-2-ylphosphonic acid

Systemtic Name: 2-[4-[3-(5-phenyl-1,2-oxazol-4-yl)propanoylamino]phenyl]propan-2-ylphosphonic acid Openeye Name: [1-methyl-1-[4-[3-(5-phenylisoxazol-4-yl)propanoylamino]phenyl]ethyl]phosphonic acid CAS Name: 2-[4-[[1-oxo-3-(5-phenyl-4-isoxazolyl)propyl]amino]phenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[4-[3-(5-phenyl-1,2-oxazol-4-yl)propanoylamino]phenyl]propan-2-ylphosphonic acid Traditional Name: [1-methyl-1-[4-[3-(5-phenylisoxazol-4-yl)propanoylamino]phenyl]ethyl]phosphonic acid Formula: C21H23N2O5P MolecularWeight: 414.391481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)NC(=O)CCC2=C(ON=C2)C3=CC=CC=C3)P(=O)(O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)NC(=O)CCC2=C(ON=C2)C3=CC=CC=C3)P(=O)(O)O

InChI

InChI=1S/C21H23N2O5P/c1-21(2,29(25,26)27)17-9-11-18(12-10-17)23-19(24)13-8-16-14-22-28-20(16)15-6-4-3-5-7-15/h3-7,9-12,14H,8,13H2,1-2H3,(H,23,24)(H2,25,26,27)