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

Systemtic Name: sodium 5-[2-[5-bromanyl-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: sodium 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: sodium 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-1-pyrrolyl]-2-methylbenzoate IUPAC Name: sodium 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methylpyrrol-1-yl]-2-methylbenzoate Traditional Name: sodium 5-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-methyl-benzoate Formula: C25H25BrNNaO3 MolecularWeight: 490.36467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC=C2C3=C(C=CC(=C3)Br)OCC4CCCC4)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC=C2C3=C(C=CC(=C3)Br)OCC4CCCC4)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H26BrNO3.Na/c1-16-7-10-20(14-21(16)25(28)29)27-17(2)8-11-23(27)22-13-19(26)9-12-24(22)30-15-18-5-3-4-6-18;/h7-14,18H,3-6,15H2,1-2H3,(H,28,29);/q;+1/p-1