1-[3-(2-acetamidophenoxy)-2-oxidanyl-propyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(2-acetamidophenoxy)-2-oxidanyl-propyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(2-acetamidophenoxy)-2-hydroxy-propyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-[(4-chlorophenyl)methoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(2-acetamidophenoxy)-2-hydroxy-propyl]-4-(4-chlorobenzyl)oxy-proline Formula: C23H27ClN2O6 MolecularWeight: 462.92328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OCC(CN2CC(CC2C(=O)O)OCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OCC(CN2CC(CC2C(=O)O)OCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C23H27ClN2O6/c1-15(27)25-20-4-2-3-5-22(20)32-14-18(28)11-26-12-19(10-21(26)23(29)30)31-13-16-6-8-17(24)9-7-16/h2-9,18-19,21,28H,10-14H2,1H3,(H,25,27)(H,29,30)