[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C18H15Br2NO4 MolecularWeight: 469.124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CC(=C3O)Br)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CC(=C3O)Br)Br

InChI

InChI=1S/C18H15Br2NO4/c19-13-7-14(17(23)15(20)8-13)18(24)25-10-16(22)21-6-5-11-3-1-2-4-12(11)9-21/h1-4,7-8,23H,5-6,9-10H2