N-[diethoxyphosphoryl-[2-(2-phenylethynyl)phenyl]methyl]-4-fluoranyl-aniline

Systemtic Name: N-[diethoxyphosphoryl-[2-(2-phenylethynyl)phenyl]methyl]-4-fluoranyl-aniline Openeye Name: N-[diethoxyphosphoryl-[2-(2-phenylethynyl)phenyl]methyl]-4-fluoro-aniline CAS Name: N-[diethoxyphosphoryl-[2-(2-phenylethynyl)phenyl]methyl]-4-fluoroaniline IUPAC Name: N-[diethoxyphosphoryl-[2-(2-phenylethynyl)phenyl]methyl]-4-fluoroaniline Traditional Name: [diethoxyphosphoryl-[2-(2-phenylethynyl)phenyl]methyl]-(4-fluorophenyl)amine Formula: C25H25FNO3P MolecularWeight: 437.443064

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=CC=C1C#CC2=CC=CC=C2)NC3=CC=C(C=C3)F)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=CC=C1C#CC2=CC=CC=C2)NC3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C25H25FNO3P/c1-3-29-31(28,30-4-2)25(27-23-18-16-22(26)17-19-23)24-13-9-8-12-21(24)15-14-20-10-6-5-7-11-20/h5-13,16-19,25,27H,3-4H2,1-2H3