sodium 5-chloranyl-2-[3-[2-(4-methoxyphenyl)carbonylpyrrol-1-yl]propyl]benzoate

Systemtic Name: sodium 5-chloranyl-2-[3-[2-(4-methoxyphenyl)carbonylpyrrol-1-yl]propyl]benzoate Openeye Name: sodium 5-chloro-2-[3-[2-(4-methoxybenzoyl)pyrrol-1-yl]propyl]benzoate CAS Name: sodium 5-chloro-2-[3-[2-[(4-methoxyphenyl)-oxomethyl]-1-pyrrolyl]propyl]benzoate IUPAC Name: sodium 5-chloro-2-[3-[2-(4-methoxybenzoyl)pyrrol-1-yl]propyl]benzoate Traditional Name: sodium 5-chloro-2-[3-(2-p-anisoylpyrrol-1-yl)propyl]benzoate Formula: C22H19ClNNaO4 MolecularWeight: 419.83333

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CC=CN2CCCC3=C(C=C(C=C3)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=CN2CCCC3=C(C=C(C=C3)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H20ClNO4.Na/c1-28-18-10-7-16(8-11-18)21(25)20-5-3-13-24(20)12-2-4-15-6-9-17(23)14-19(15)22(26)27;/h3,5-11,13-14H,2,4,12H2,1H3,(H,26,27);/q;+1/p-1