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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrNO4/c20-16-5-7-17(8-6-16)24-13-19(23)25-12-18(22)21-10-9-14-3-1-2-4-15(14)11-21/h1-8H,9-13H2