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

Systemtic Name: 1-[3-(2-acetamidophenoxy)-2-oxidanyl-propyl]-4-(4-chloranylphenoxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(2-acetamidophenoxy)-2-hydroxy-propyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(2-acetamidophenoxy)-2-hydroxy-propyl]-4-(4-chlorophenoxy)proline Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OCC(CN2CC(CC2C(=O)O)OC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OCC(CN2CC(CC2C(=O)O)OC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H25ClN2O6/c1-14(26)24-19-4-2-3-5-21(19)30-13-16(27)11-25-12-18(10-20(25)22(28)29)31-17-8-6-15(23)7-9-17/h2-9,16,18,20,27H,10-13H2,1H3,(H,24,26)(H,28,29)