(4-cyanophenyl)methyl 2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-cyanobenzyl) ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N2O3/c1-14(23)22-12-18-5-3-2-4-17(18)10-19(22)20(24)25-13-16-8-6-15(11-21)7-9-16/h2-9,19H,10,12-13H2,1H3