sodium 5-[2-[5-chloranyl-2-(2-methylpropoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-fluoranyl-benzoate

Systemtic Name: sodium 5-[2-[5-chloranyl-2-(2-methylpropoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-fluoranyl-benzoate Openeye Name: sodium 5-[2-(5-chloro-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]-2-fluoro-benzoate CAS Name: sodium 5-[2-[5-chloro-2-(2-methylpropoxy)phenyl]-5-methyl-1-pyrrolyl]-2-fluorobenzoate IUPAC Name: sodium 5-[2-[5-chloro-2-(2-methylpropoxy)phenyl]-5-methylpyrrol-1-yl]-2-fluorobenzoate Traditional Name: sodium 5-[2-(5-chloro-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]-2-fluoro-benzoate Formula: C22H20ClFNNaO3 MolecularWeight: 423.840273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2)F)C(=O)[O-])C3=C(C=CC(=C3)Cl)OCC(C)C.[Na+]

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)F)C(=O)[O-])C3=C(C=CC(=C3)Cl)OCC(C)C.[Na+]

InChI

InChI=1S/C22H21ClFNO3.Na/c1-13(2)12-28-21-9-5-15(23)10-18(21)20-8-4-14(3)25(20)16-6-7-19(24)17(11-16)22(26)27;/h4-11,13H,12H2,1-3H3,(H,26,27);/q;+1/p-1