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

Systemtic Name: sodium 4-[4-(4-imidazol-1-ylphenyl)carbonyl-2-methyl-phenoxy]butanoic acid Openeye Name: sodium 4-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]butanoic acid CAS Name: sodium 4-[4-[[4-(1-imidazolyl)phenyl]-oxomethyl]-2-methylphenoxy]butanoic acid IUPAC Name: sodium 4-[4-(4-imidazol-1-ylbenzoyl)-2-methylphenoxy]butanoic acid Traditional Name: sodium 4-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]butyric acid Formula: C21H20N2NaO4+ MolecularWeight: 387.38427

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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)OCCCC(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4.Na/c1-15-13-17(6-9-19(15)27-12-2-3-20(24)25)21(26)16-4-7-18(8-5-16)23-11-10-22-14-23;/h4-11,13-14H,2-3,12H2,1H3,(H,24,25);/q;+1