sodium 6-[4-(4-imidazol-1-ylphenyl)carbonyl-2-methyl-phenoxy]hexanoic acid

Systemtic Name: sodium 6-[4-(4-imidazol-1-ylphenyl)carbonyl-2-methyl-phenoxy]hexanoic acid Openeye Name: sodium 6-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]hexanoic acid CAS Name: sodium 6-[4-[[4-(1-imidazolyl)phenyl]-oxomethyl]-2-methylphenoxy]hexanoic acid IUPAC Name: sodium 6-[4-(4-imidazol-1-ylbenzoyl)-2-methylphenoxy]hexanoic acid Traditional Name: sodium 6-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]hexanoic acid Formula: C23H24N2NaO4+ MolecularWeight: 415.43743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)OCCCCCC(=O)O.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)OCCCCCC(=O)O.[Na+]

InChI

InChI=1S/C23H24N2O4.Na/c1-17-15-19(8-11-21(17)29-14-4-2-3-5-22(26)27)23(28)18-6-9-20(10-7-18)25-13-12-24-16-25;/h6-13,15-16H,2-5,14H2,1H3,(H,26,27);/q;+1