sodium 10-[4-(4-imidazol-1-ylphenyl)carbonyl-2-methyl-phenoxy]decanoic acid

Systemtic Name: sodium 10-[4-(4-imidazol-1-ylphenyl)carbonyl-2-methyl-phenoxy]decanoic acid Openeye Name: sodium 10-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]decanoic acid CAS Name: sodium 10-[4-[[4-(1-imidazolyl)phenyl]-oxomethyl]-2-methylphenoxy]decanoic acid IUPAC Name: sodium 10-[4-(4-imidazol-1-ylbenzoyl)-2-methylphenoxy]decanoic acid Traditional Name: sodium 10-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]capric acid Formula: C27H32N2NaO4+ MolecularWeight: 471.54375

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4.Na/c1-21-19-23(27(32)22-10-13-24(14-11-22)29-17-16-28-20-29)12-15-25(21)33-18-8-6-4-2-3-5-7-9-26(30)31;/h10-17,19-20H,2-9,18H2,1H3,(H,30,31);/q;+1