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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-iodanyl-2-oxidanyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic 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-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C18H16INO4 MolecularWeight: 437.22841

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C=CC(=C3)I)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C=CC(=C3)I)O

InChI

InChI=1S/C18H16INO4/c19-14-5-6-16(21)15(9-14)18(23)24-11-17(22)20-8-7-12-3-1-2-4-13(12)10-20/h1-6,9,21H,7-8,10-11H2