8-[4-(4-imidazol-1-ylphenyl)carbonyl-2-methyl-phenoxy]octanoic acid

Systemtic Name: 8-[4-(4-imidazol-1-ylphenyl)carbonyl-2-methyl-phenoxy]octanoic acid Openeye Name: 8-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]octanoic acid CAS Name: 8-[4-[[4-(1-imidazolyl)phenyl]-oxomethyl]-2-methylphenoxy]octanoic acid IUPAC Name: 8-[4-(4-imidazol-1-ylbenzoyl)-2-methylphenoxy]octanoic acid Traditional Name: 8-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]caprylic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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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)OCCCCCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)OCCCCCCCC(=O)O

InChI

InChI=1S/C25H28N2O4/c1-19-17-21(10-13-23(19)31-16-6-4-2-3-5-7-24(28)29)25(30)20-8-11-22(12-9-20)27-15-14-26-18-27/h8-15,17-18H,2-7,16H2,1H3,(H,28,29)