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

Systemtic Name: sodium 5-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: sodium 5-[2-(5-bromo-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: sodium 5-[2-[5-bromo-2-(2-methylpropoxy)phenyl]-5-methyl-1-pyrrolyl]-2-methylbenzoate IUPAC Name: sodium 5-[2-[5-bromo-2-(2-methylpropoxy)phenyl]-5-methylpyrrol-1-yl]-2-methylbenzoate Traditional Name: sodium 5-[2-(5-bromo-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]-2-methyl-benzoate Formula: C23H23BrNNaO3 MolecularWeight: 464.32739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC=C2C3=C(C=CC(=C3)Br)OCC(C)C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC=C2C3=C(C=CC(=C3)Br)OCC(C)C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H24BrNO3.Na/c1-14(2)13-28-22-10-7-17(24)11-20(22)21-9-6-16(4)25(21)18-8-5-15(3)19(12-18)23(26)27;/h5-12,14H,13H2,1-4H3,(H,26,27);/q;+1/p-1