methyl 2-(3-bromanylpropyl)-6-methyl-3-propan-2-yl-benzoate

Systemtic Name: methyl 2-(3-bromanylpropyl)-6-methyl-3-propan-2-yl-benzoate Openeye Name: methyl 2-(3-bromopropyl)-3-isopropyl-6-methyl-benzoate CAS Name: 2-(3-bromopropyl)-6-methyl-3-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-(3-bromopropyl)-6-methyl-3-propan-2-ylbenzoate Traditional Name: 2-(3-bromopropyl)-3-isopropyl-6-methyl-benzoic acid methyl ester Formula: C15H21BrO2 MolecularWeight: 313.23004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)CCCBr)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)CCCBr)C(=O)OC

InChI

InChI=1S/C15H21BrO2/c1-10(2)12-8-7-11(3)14(15(17)18-4)13(12)6-5-9-16/h7-8,10H,5-6,9H2,1-4H3