3-chloranyl-1-[(2-methylpropan-2-yl)oxy]isoquinoline

Systemtic Name: 3-chloranyl-1-[(2-methylpropan-2-yl)oxy]isoquinoline Openeye Name: 1-tert-butoxy-3-chloro-isoquinoline CAS Name: 3-chloro-1-[(2-methylpropan-2-yl)oxy]isoquinoline IUPAC Name: 3-chloro-1-[(2-methylpropan-2-yl)oxy]isoquinoline Traditional Name: 1-tert-butoxy-3-chloro-isoquinoline Formula: C13H14ClNO MolecularWeight: 235.70936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=NC(=CC2=CC=CC=C21)Cl

Isomeric SMILES

CC(C)(C)OC1=NC(=CC2=CC=CC=C21)Cl

InChI

InChI=1S/C13H14ClNO/c1-13(2,3)16-12-10-7-5-4-6-9(10)8-11(14)15-12/h4-8H,1-3H3