sodium 5-[2-[5-bromanyl-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-fluoranyl-benzoate

Systemtic Name: sodium 5-[2-[5-bromanyl-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-fluoranyl-benzoate Openeye Name: sodium 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-fluoro-benzoate CAS Name: sodium 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-1-pyrrolyl]-2-fluorobenzoate IUPAC Name: sodium 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methylpyrrol-1-yl]-2-fluorobenzoate Traditional Name: sodium 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-fluoro-benzoate Formula: C24H22BrFNNaO3 MolecularWeight: 494.328553

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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)Br)OCC4CCCC4.[Na+]

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)F)C(=O)[O-])C3=C(C=CC(=C3)Br)OCC4CCCC4.[Na+]

InChI

InChI=1S/C24H23BrFNO3.Na/c1-15-6-10-22(27(15)18-8-9-21(26)19(13-18)24(28)29)20-12-17(25)7-11-23(20)30-14-16-4-2-3-5-16;/h6-13,16H,2-5,14H2,1H3,(H,28,29);/q;+1/p-1