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

Systemtic Name: [(2S)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-propan-2-yl] ethanoate Openeye Name: [(1S)-2-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-methyl-2-oxo-ethyl] acetate CAS Name: acetic acid [(2S)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl] acetate Traditional Name: acetic acid [(1S)-2-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-1-methyl-ethyl] ester Formula: C20H20FNO3 MolecularWeight: 341.376103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)F)OC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)F)OC(=O)C

InChI

InChI=1S/C20H20FNO3/c1-13(25-14(2)23)20(24)22-12-11-15-5-3-4-6-18(15)19(22)16-7-9-17(21)10-8-16/h3-10,13,19H,11-12H2,1-2H3/t13-,19?/m0/s1