N-[[5-chloranyl-2-(2-phenylethynyl)phenyl]-ethoxy-phosphoryl]-1-phenyl-methanamine

Systemtic Name: N-[[5-chloranyl-2-(2-phenylethynyl)phenyl]-ethoxy-phosphoryl]-1-phenyl-methanamine Openeye Name: N-[[5-chloro-2-(2-phenylethynyl)phenyl]-ethoxy-phosphoryl]-1-phenyl-methanamine CAS Name: N-[[5-chloro-2-(2-phenylethynyl)phenyl]-ethoxyphosphoryl]-1-phenylmethanamine IUPAC Name: N-[[5-chloro-2-(2-phenylethynyl)phenyl]-ethoxyphosphoryl]-1-phenylmethanamine Traditional Name: benzyl-[[5-chloro-2-(2-phenylethynyl)phenyl]-ethoxy-phosphoryl]amine Formula: C23H21ClNO2P MolecularWeight: 409.845101

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C=CC(=C1)Cl)C#CC2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CCOP(=O)(C1=C(C=CC(=C1)Cl)C#CC2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C23H21ClNO2P/c1-2-27-28(26,25-18-20-11-7-4-8-12-20)23-17-22(24)16-15-21(23)14-13-19-9-5-3-6-10-19/h3-12,15-17H,2,18H2,1H3,(H,25,26)