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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic 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-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrNO4/c1-14(26-19(23)13-25-18-8-4-7-17(21)11-18)20(24)22-10-9-15-5-2-3-6-16(15)12-22/h2-8,11,14H,9-10,12-13H2,1H3