[4-(2-cyanophenyl)phenyl]methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [4-(2-cyanophenyl)benzyl] ester Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H22N2O3/c1-19(30)29-15-14-21-6-2-5-9-25(21)26(29)16-27(31)32-18-20-10-12-22(13-11-20)24-8-4-3-7-23(24)17-28/h2-15,26H,16,18H2,1H3