[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO4/c1-14(20(24)23-12-11-16-5-3-4-6-17(16)13-23)27-21(25)15(2)26-19-9-7-18(22)8-10-19/h3-10,14-15H,11-13H2,1-2H3