1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-(3,4-dimethylphenoxy)propan-2-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-(3,4-dimethylphenoxy)propan-2-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-(3,4-dimethylphenoxy)propan-2-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-(3,4-dimethylphenoxy)-2-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-(3,4-dimethylphenoxy)propan-2-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-(3,4-dimethylphenoxy)acetone Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)CC2=NCCC3=CC(=C(C=C32)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)CC2=NCCC3=CC(=C(C=C32)OC)OC)C

InChI

InChI=1S/C22H25NO4/c1-14-5-6-18(9-15(14)2)27-13-17(24)11-20-19-12-22(26-4)21(25-3)10-16(19)7-8-23-20/h5-6,9-10,12H,7-8,11,13H2,1-4H3