sodium 3-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoate

Systemtic Name: sodium 3-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoate Openeye Name: sodium 3-[2-(5-bromo-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]benzoate CAS Name: sodium 3-[2-[5-bromo-2-(2-methylpropoxy)phenyl]-5-methyl-1-pyrrolyl]benzoate IUPAC Name: sodium 3-[2-[5-bromo-2-(2-methylpropoxy)phenyl]-5-methylpyrrol-1-yl]benzoate Traditional Name: sodium 3-[2-(5-bromo-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]benzoate Formula: C22H21BrNNaO3 MolecularWeight: 450.30081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrNO3.Na/c1-14(2)13-27-21-10-8-17(23)12-19(21)20-9-7-15(3)24(20)18-6-4-5-16(11-18)22(25)26;/h4-12,14H,13H2,1-3H3,(H,25,26);/q;+1/p-1