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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H]2C3=CC(=C(C=C3CCN2C(=O)CC4=CC=CC=C4)OC)OC

InChI

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