3-[2-(2-bromanyl-5-methoxy-phenyl)ethyl]-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylic acid

Systemtic Name: 3-[2-(2-bromanyl-5-methoxy-phenyl)ethyl]-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylic acid Openeye Name: 3-[2-(2-bromo-5-methoxy-phenyl)ethyl]-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylic acid CAS Name: 3-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid IUPAC Name: 3-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methyl-4-oxocyclohex-2-ene-1-carboxylic acid Traditional Name: 3-[2-(2-bromo-5-methoxy-phenyl)ethyl]-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid Formula: C17H19BrO4 MolecularWeight: 367.23436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CCC1C(=O)O)CCC2=C(C=CC(=C2)OC)Br

Isomeric SMILES

CC1=C(C(=O)CCC1C(=O)O)CCC2=C(C=CC(=C2)OC)Br

InChI

InChI=1S/C17H19BrO4/c1-10-13(16(19)8-6-14(10)17(20)21)5-3-11-9-12(22-2)4-7-15(11)18/h4,7,9,14H,3,5-6,8H2,1-2H3,(H,20,21)