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

Systemtic Name: 3-[4-[3-(5-phenyl-1,2-oxazol-4-yl)propanoylamino]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[4-[3-(5-phenylisoxazol-4-yl)propanoylamino]phenyl]propyl]phosphonic acid CAS Name: 3-[4-[[1-oxo-3-(5-phenyl-4-isoxazolyl)propyl]amino]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[3-(5-phenyl-1,2-oxazol-4-yl)propanoylamino]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[4-[3-(5-phenylisoxazol-4-yl)propanoylamino]phenyl]propyl]phosphonic acid Formula: C23H27N2O5P MolecularWeight: 442.444641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N2O5P/c1-3-23(4-2,31(27,28)29)19-11-13-20(14-12-19)25-21(26)15-10-18-16-24-30-22(18)17-8-6-5-7-9-17/h5-9,11-14,16H,3-4,10,15H2,1-2H3,(H,25,26)(H2,27,28,29)