cyanomethyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: cyanomethyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: cyanomethyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid cyanomethyl ester Formula: C15H14N2O3 MolecularWeight: 270.28326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC#N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC#N

InChI

InChI=1S/C15H14N2O3/c1-11(18)17-8-6-12-4-2-3-5-13(12)14(17)10-15(19)20-9-7-16/h2-6,8,14H,9-10H2,1H3/t14-/m0/s1