2-(2-chloranyl-4-fluoranyl-phenoxy)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(2-chloro-4-fluorophenoxy)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H23ClFNO4 MolecularWeight: 407.863023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)COC3=C(C=C(C=C3)F)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)COC3=C(C=C(C=C3)F)Cl)OCC

InChI

InChI=1S/C21H23ClFNO4/c1-3-26-19-9-14-7-8-24(12-15(14)10-20(19)27-4-2)21(25)13-28-18-6-5-16(23)11-17(18)22/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3