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

Systemtic Name: [(1S)-1-cyanoethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [(1S)-1-cyanoethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(1S)-1-cyanoethyl] ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CC1C2=CC=CC=C2C=CN1C(=O)C

Isomeric SMILES

C[C@@H](C#N)OC(=O)C[C@@H]1C2=CC=CC=C2C=CN1C(=O)C

InChI

InChI=1S/C16H16N2O3/c1-11(10-17)21-16(20)9-15-14-6-4-3-5-13(14)7-8-18(15)12(2)19/h3-8,11,15H,9H2,1-2H3/t11-,15+/m0/s1