[(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [(1S)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(1S)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H20FNO4 MolecularWeight: 381.396903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)F)OC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C22H20FNO4/c1-14(22(27)17-7-9-18(23)10-8-17)28-21(26)13-20-19-6-4-3-5-16(19)11-12-24(20)15(2)25/h3-12,14,20H,13H2,1-2H3/t14-,20+/m0/s1