(2-chloranyl-6-fluoranyl-phenyl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H17ClFNO3 MolecularWeight: 373.805283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H17ClFNO3/c1-13(24)23-10-9-14-5-2-3-6-15(14)19(23)11-20(25)26-12-16-17(21)7-4-8-18(16)22/h2-10,19H,11-12H2,1H3/t19-/m0/s1