3-(4-chloranylphenoxy)-2-oxidanyl-4-propoxy-5-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 3-(4-chloranylphenoxy)-2-oxidanyl-4-propoxy-5-pyrrolidin-1-yl-benzoic acid Openeye Name: 3-(4-chlorophenoxy)-2-hydroxy-4-propoxy-5-pyrrolidin-1-yl-benzoic acid CAS Name: 3-(4-chlorophenoxy)-2-hydroxy-4-propoxy-5-(1-pyrrolidinyl)benzoic acid IUPAC Name: 3-(4-chlorophenoxy)-2-hydroxy-4-propoxy-5-pyrrolidin-1-ylbenzoic acid Traditional Name: 3-(4-chlorophenoxy)-2-hydroxy-4-propoxy-5-pyrrolidino-benzoic acid Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1OC2=CC=C(C=C2)Cl)O)C(=O)O)N3CCCC3

Isomeric SMILES

CCCOC1=C(C=C(C(=C1OC2=CC=C(C=C2)Cl)O)C(=O)O)N3CCCC3

InChI

InChI=1S/C20H22ClNO5/c1-2-11-26-18-16(22-9-3-4-10-22)12-15(20(24)25)17(23)19(18)27-14-7-5-13(21)6-8-14/h5-8,12,23H,2-4,9-11H2,1H3,(H,24,25)