[3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-5H-1,2-oxazol-2-yl]phosphonic acid

Systemtic Name: [3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-5H-1,2-oxazol-2-yl]phosphonic acid Openeye Name: [3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-5H-isoxazol-2-yl]phosphonic acid CAS Name: [3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-5H-isoxazol-2-yl]phosphonic acid IUPAC Name: [3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-5H-1,2-oxazol-2-yl]phosphonic acid Traditional Name: [3-[4-methoxy-3-(5-phenylpentoxy)phenyl]-3-isoxazolin-2-yl]phosphonic acid Formula: C21H26NO6P MolecularWeight: 419.408001

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CCON2P(=O)(O)O)OCCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CCON2P(=O)(O)O)OCCCCCC3=CC=CC=C3

InChI

InChI=1S/C21H26NO6P/c1-26-20-12-11-18(19-13-15-28-22(19)29(23,24)25)16-21(20)27-14-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-13,16H,3,6-7,10,14-15H2,1H3,(H2,23,24,25)