1-[2-[(4-nitrophenyl)methoxy-phenethyloxy-phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(4-nitrophenyl)methoxy-phenethyloxy-phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(4-nitrophenyl)methoxy-phenethyloxy-phosphoryl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-nitrophenyl)methoxy-phenethyloxyphosphoryl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(4-nitrophenyl)methoxy-phenethyloxyphosphoryl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-nitrobenzyl)oxy-phenethyloxy-phosphoryl]acetyl]proline Formula: C22H25N2O8P MolecularWeight: 476.416261

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CP(=O)(OCCC2=CC=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CP(=O)(OCCC2=CC=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H25N2O8P/c25-21(23-13-4-7-20(23)22(26)27)16-33(30,31-14-12-17-5-2-1-3-6-17)32-15-18-8-10-19(11-9-18)24(28)29/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,26,27)