6-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-(tert-butoxymethyl)-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 6-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-4-phenyl-1-isoquinolinone IUPAC Name: 6-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-4-phenylisoquinolin-1-one Traditional Name: 3-(tert-butoxymethyl)-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC1=C(C2=C(C=CC(=C2)OC)C(=O)N1C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OCC1=C(C2=C(C=CC(=C2)OC)C(=O)N1C)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-22(2,3)26-14-19-20(15-9-7-6-8-10-15)18-13-16(25-5)11-12-17(18)21(24)23(19)4/h6-13H,14H2,1-5H3