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

Systemtic Name: (2-cyanophenyl)methyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-cyanophenyl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (2-cyanobenzyl) ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H18N2O3/c1-15(24)23-11-10-16-6-4-5-9-19(16)20(23)12-21(25)26-14-18-8-3-2-7-17(18)13-22/h2-11,20H,12,14H2,1H3/t20-/m0/s1