ethyl 2-[[2-[(4-bromophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-5-yl]oxy]ethanoate

Systemtic Name: ethyl 2-[[2-[(4-bromophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinolin-5-yl]oxy]ethanoate Openeye Name: ethyl 2-[[2-[(4-bromophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetate CAS Name: 2-[[2-[(4-bromophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-bromophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetate Traditional Name: 2-[[2-(4-bromobenzyl)-1-keto-3,4-dihydroisoquinolin-5-yl]oxy]acetic acid ethyl ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1CCN(C2=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1CCN(C2=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrNO4/c1-2-25-19(23)13-26-18-5-3-4-17-16(18)10-11-22(20(17)24)12-14-6-8-15(21)9-7-14/h3-9H,2,10-13H2,1H3