(5-methyl-2-propan-2-yl-cyclohexyl) 3-[4-(2-bromanylethanoyl)phenyl]propanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 3-[4-(2-bromanylethanoyl)phenyl]propanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 3-[4-(2-bromoacetyl)phenyl]propanoate CAS Name: 3-[4-(2-bromo-1-oxoethyl)phenyl]propanoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 3-[4-(2-bromoacetyl)phenyl]propanoate Traditional Name: 3-[4-(2-bromoacetyl)phenyl]propionic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H29BrO3 MolecularWeight: 409.35716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CCC2=CC=C(C=C2)C(=O)CBr)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CCC2=CC=C(C=C2)C(=O)CBr)C(C)C

InChI

InChI=1S/C21H29BrO3/c1-14(2)18-10-4-15(3)12-20(18)25-21(24)11-7-16-5-8-17(9-6-16)19(23)13-22/h5-6,8-9,14-15,18,20H,4,7,10-13H2,1-3H3