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

Systemtic Name: 2-[2-(4-chloranylphenoxy)-2-imidazol-1-yl-ethanoyl]-2-ethyl-hexanoic acid Openeye Name: 2-[2-(4-chlorophenoxy)-2-imidazol-1-yl-acetyl]-2-ethyl-hexanoic acid CAS Name: 2-[2-(4-chlorophenoxy)-2-(1-imidazolyl)-1-oxoethyl]-2-ethylhexanoic acid IUPAC Name: 2-[2-(4-chlorophenoxy)-2-imidazol-1-ylacetyl]-2-ethylhexanoic acid Traditional Name: 2-[2-(4-chlorophenoxy)-2-imidazol-1-yl-acetyl]-2-ethyl-hexanoic acid Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O4/c1-3-5-10-19(4-2,18(24)25)16(23)17(22-12-11-21-13-22)26-15-8-6-14(20)7-9-15/h6-9,11-13,17H,3-5,10H2,1-2H3,(H,24,25)