4-acetamido-3-[3-[3-(4-chloranylphenoxy)pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 4-acetamido-3-[3-[3-(4-chloranylphenoxy)pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzoic acid Openeye Name: 4-acetamido-3-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxy-propoxy]benzoic acid CAS Name: 4-acetamido-3-[3-[3-(4-chlorophenoxy)-1-pyrrolidinyl]-2-hydroxypropoxy]benzoic acid IUPAC Name: 4-acetamido-3-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoic acid Traditional Name: 4-acetamido-3-[3-[3-(4-chlorophenoxy)pyrrolidino]-2-hydroxy-propoxy]benzoic acid Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)O)OCC(CN2CCC(C2)OC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)O)OCC(CN2CCC(C2)OC3=CC=C(C=C3)Cl)O

InChI

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