(5-methyl-2-propan-2-yl-cyclohexyl) 2-[5,7-bis(bromanyl)quinolin-8-yl]oxyethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[5,7-bis(bromanyl)quinolin-8-yl]oxyethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(5,7-dibromo-8-quinolyl)oxy]acetate CAS Name: 2-[(5,7-dibromo-8-quinolinyl)oxy]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(5,7-dibromoquinolin-8-yl)oxyacetate Traditional Name: 2-[(5,7-dibromo-8-quinolyl)oxy]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H25Br2NO3 MolecularWeight: 499.2361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC2=C(C=C(C3=C2N=CC=C3)Br)Br)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)COC2=C(C=C(C3=C2N=CC=C3)Br)Br)C(C)C

InChI

InChI=1S/C21H25Br2NO3/c1-12(2)14-7-6-13(3)9-18(14)27-19(25)11-26-21-17(23)10-16(22)15-5-4-8-24-20(15)21/h4-5,8,10,12-14,18H,6-7,9,11H2,1-3H3