1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-ethanone

Systemtic Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-ethanone Openeye Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-ethanone CAS Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanone IUPAC Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanone Traditional Name: 1-[(1S)-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-ethanone Formula: C28H31NO4 MolecularWeight: 445.55004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)CC4=CC=CC=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@@H]2C3=CC(=C(C=C3CCN2C(=O)CC4=CC=CC=C4)OC)OC)C

InChI

InChI=1S/C28H31NO4/c1-19-12-20(2)14-23(13-19)33-18-25-24-17-27(32-4)26(31-3)16-22(24)10-11-29(25)28(30)15-21-8-6-5-7-9-21/h5-9,12-14,16-17,25H,10-11,15,18H2,1-4H3/t25-/m1/s1