(4-chlorophenyl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (4-chlorophenyl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: (4-chlorophenyl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (4-chlorobenzyl) ester Formula: C20H18ClNO3 MolecularWeight: 355.81482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO3/c1-14(23)22-11-10-16-4-2-3-5-18(16)19(22)12-20(24)25-13-15-6-8-17(21)9-7-15/h2-11,19H,12-13H2,1H3/t19-/m0/s1