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

Systemtic Name: sodium 5-[2-[5-chloranyl-2-(2-methylpropoxy)phenyl]pyrrol-1-yl]-2-fluoranyl-benzoate Openeye Name: sodium 5-[2-(5-chloro-2-isobutoxy-phenyl)pyrrol-1-yl]-2-fluoro-benzoate CAS Name: sodium 5-[2-[5-chloro-2-(2-methylpropoxy)phenyl]-1-pyrrolyl]-2-fluorobenzoate IUPAC Name: sodium 5-[2-[5-chloro-2-(2-methylpropoxy)phenyl]pyrrol-1-yl]-2-fluorobenzoate Traditional Name: sodium 5-[2-(5-chloro-2-isobutoxy-phenyl)pyrrol-1-yl]-2-fluoro-benzoate Formula: C21H18ClFNNaO3 MolecularWeight: 409.813693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Cl)C2=CC=CN2C3=CC(=C(C=C3)F)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Cl)C2=CC=CN2C3=CC(=C(C=C3)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H19ClFNO3.Na/c1-13(2)12-27-20-8-5-14(22)10-17(20)19-4-3-9-24(19)15-6-7-18(23)16(11-15)21(25)26;/h3-11,13H,12H2,1-2H3,(H,25,26);/q;+1/p-1