2-[2-(4-chloranylphenoxy)-2-imidazol-1-yl-ethanoyl]-2-methyl-hexanoic acid

Systemtic Name: 2-[2-(4-chloranylphenoxy)-2-imidazol-1-yl-ethanoyl]-2-methyl-hexanoic acid Openeye Name: 2-[2-(4-chlorophenoxy)-2-imidazol-1-yl-acetyl]-2-methyl-hexanoic acid CAS Name: 2-[2-(4-chlorophenoxy)-2-(1-imidazolyl)-1-oxoethyl]-2-methylhexanoic acid IUPAC Name: 2-[2-(4-chlorophenoxy)-2-imidazol-1-ylacetyl]-2-methylhexanoic acid Traditional Name: 2-[2-(4-chlorophenoxy)-2-imidazol-1-yl-acetyl]-2-methyl-hexanoic acid Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCCC(C)(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H21ClN2O4/c1-3-4-9-18(2,17(23)24)15(22)16(21-11-10-20-12-21)25-14-7-5-13(19)6-8-14/h5-8,10-12,16H,3-4,9H2,1-2H3,(H,23,24)