3-[3,5-dimethyl-4-(2-methyl-2-oxidanyl-propoxy)phenyl]-6,8-dimethoxy-2H-isoquinolin-1-one

Systemtic Name: 3-[3,5-dimethyl-4-(2-methyl-2-oxidanyl-propoxy)phenyl]-6,8-dimethoxy-2H-isoquinolin-1-one Openeye Name: 3-[4-(2-hydroxy-2-methyl-propoxy)-3,5-dimethyl-phenyl]-6,8-dimethoxy-2H-isoquinolin-1-one CAS Name: 3-[4-(2-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]-6,8-dimethoxy-2H-isoquinolin-1-one IUPAC Name: 3-[4-(2-hydroxy-2-methylpropoxy)-3,5-dimethylphenyl]-6,8-dimethoxy-2H-isoquinolin-1-one Traditional Name: 3-[4-(2-hydroxy-2-methyl-propoxy)-3,5-dimethyl-phenyl]-6,8-dimethoxy-isocarbostyril Formula: C23H27NO5 MolecularWeight: 397.46418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(C)(C)O)C)C2=CC3=CC(=CC(=C3C(=O)N2)OC)OC

Isomeric SMILES

CC1=CC(=CC(=C1OCC(C)(C)O)C)C2=CC3=CC(=CC(=C3C(=O)N2)OC)OC

InChI

InChI=1S/C23H27NO5/c1-13-7-15(8-14(2)21(13)29-12-23(3,4)26)18-10-16-9-17(27-5)11-19(28-6)20(16)22(25)24-18/h7-11,26H,12H2,1-6H3,(H,24,25)