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

Systemtic Name: sodium 3-[2-[5-bromanyl-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoate Openeye Name: sodium 3-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoate CAS Name: sodium 3-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-1-pyrrolyl]benzoate IUPAC Name: sodium 3-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methylpyrrol-1-yl]benzoate Traditional Name: sodium 3-[2-[5-bromo-2-(cyclopentylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoate Formula: C24H23BrNNaO3 MolecularWeight: 476.33809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrNO3.Na/c1-16-9-11-22(26(16)20-8-4-7-18(13-20)24(27)28)21-14-19(25)10-12-23(21)29-15-17-5-2-3-6-17;/h4,7-14,17H,2-3,5-6,15H2,1H3,(H,27,28);/q;+1/p-1