(4-iodanyl-3-phenyl-isoquinolin-1-yl)methyl ethanoate

Systemtic Name: (4-iodanyl-3-phenyl-isoquinolin-1-yl)methyl ethanoate Openeye Name: (4-iodo-3-phenyl-1-isoquinolyl)methyl acetate CAS Name: acetic acid (4-iodo-3-phenyl-1-isoquinolinyl)methyl ester IUPAC Name: (4-iodo-3-phenylisoquinolin-1-yl)methyl acetate Traditional Name: acetic acid (4-iodo-3-phenyl-1-isoquinolyl)methyl ester Formula: C18H14INO2 MolecularWeight: 403.21373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=NC(=C(C2=CC=CC=C21)I)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC1=NC(=C(C2=CC=CC=C21)I)C3=CC=CC=C3

InChI

InChI=1S/C18H14INO2/c1-12(21)22-11-16-14-9-5-6-10-15(14)17(19)18(20-16)13-7-3-2-4-8-13/h2-10H,11H2,1H3