2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]ethanoate

Systemtic Name: 2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]ethanoate Openeye Name: 2-[(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]acetate CAS Name: 2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]acetate IUPAC Name: 2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]acetate Traditional Name: 2-[(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]acetate Formula: C16H19N2O3- MolecularWeight: 287.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCCC2=C(C(=N1)OCC(=O)[O-])C#N

Isomeric SMILES

CC(C)CC1=C2CCCCC2=C(C(=N1)OCC(=O)[O-])C#N

InChI

InChI=1S/C16H20N2O3/c1-10(2)7-14-12-6-4-3-5-11(12)13(8-17)16(18-14)21-9-15(19)20/h10H,3-7,9H2,1-2H3,(H,19,20)/p-1