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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2,4-bis(fluoranyl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2,4-difluorobenzoate CAS Name: 2,4-difluorobenzoic 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-difluorobenzoate Traditional Name: 2,4-difluorobenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C18H15F2NO3 MolecularWeight: 331.313406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F2NO3/c19-14-5-6-15(16(20)9-14)18(23)24-11-17(22)21-8-7-12-3-1-2-4-13(12)10-21/h1-6,9H,7-8,10-11H2