(3-fluoranyl-4-methoxy-phenyl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H20FNO4 MolecularWeight: 369.386203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H20FNO4/c1-14(24)23-10-9-16-5-3-4-6-17(16)19(23)12-21(25)27-13-15-7-8-20(26-2)18(22)11-15/h3-11,19H,12-13H2,1-2H3/t19-/m0/s1