[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] ester IUPAC Name: [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl] ester Formula: C19H25BrO4 MolecularWeight: 397.3034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC(=CC=C2)Br)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC(=CC=C2)Br)C(C)C

InChI

InChI=1S/C19H25BrO4/c1-12(2)16-8-7-13(3)9-17(16)24-18(21)11-23-19(22)14-5-4-6-15(20)10-14/h4-6,10,12-13,16-17H,7-9,11H2,1-3H3