3-[3-(2-bromophenyl)-3-(3-methylbut-2-enoxy)prop-1-ynyl]-2-methyl-cyclohex-2-en-1-one

Systemtic Name: 3-[3-(2-bromophenyl)-3-(3-methylbut-2-enoxy)prop-1-ynyl]-2-methyl-cyclohex-2-en-1-one Openeye Name: 3-[3-(2-bromophenyl)-3-(3-methylbut-2-enoxy)prop-1-ynyl]-2-methyl-cyclohex-2-en-1-one CAS Name: 3-[3-(2-bromophenyl)-3-(3-methylbut-2-enoxy)prop-1-ynyl]-2-methyl-1-cyclohex-2-enone IUPAC Name: 3-[3-(2-bromophenyl)-3-(3-methylbut-2-enoxy)prop-1-ynyl]-2-methylcyclohex-2-en-1-one Traditional Name: 3-[3-(2-bromophenyl)-3-(3-methylbut-2-enoxy)prop-1-ynyl]-2-methyl-cyclohex-2-en-1-one Formula: C21H23BrO2 MolecularWeight: 387.31012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCCC1=O)C#CC(C2=CC=CC=C2Br)OCC=C(C)C

Isomeric SMILES

CC1=C(CCCC1=O)C#CC(C2=CC=CC=C2Br)OCC=C(C)C

InChI

InChI=1S/C21H23BrO2/c1-15(2)13-14-24-21(18-8-4-5-9-19(18)22)12-11-17-7-6-10-20(23)16(17)3/h4-5,8-9,13,21H,6-7,10,14H2,1-3H3