3-acetyloxy-7-bromanyl-4-methyl-2-(methylamino)-5-methylidene-heptanoic acid

Systemtic Name: 3-acetyloxy-7-bromanyl-4-methyl-2-(methylamino)-5-methylidene-heptanoic acid Openeye Name: 3-acetoxy-7-bromo-4-methyl-2-(methylamino)-5-methylene-heptanoic acid CAS Name: 3-acetyloxy-7-bromo-4-methyl-2-(methylamino)-5-methyleneheptanoic acid IUPAC Name: 3-acetyloxy-7-bromo-4-methyl-2-(methylamino)-5-methylideneheptanoic acid Traditional Name: 3-acetoxy-5-(2-bromoethyl)-4-methyl-2-(methylamino)hex-5-enoic acid Formula: C12H20BrNO4 MolecularWeight: 322.1955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)O)NC)OC(=O)C)C(=C)CCBr

Isomeric SMILES

CC(C(C(C(=O)O)NC)OC(=O)C)C(=C)CCBr

InChI

InChI=1S/C12H20BrNO4/c1-7(5-6-13)8(2)11(18-9(3)15)10(14-4)12(16)17/h8,10-11,14H,1,5-6H2,2-4H3,(H,16,17)