(3R)-3-(4-chloranylphenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)butan-2-one

Systemtic Name: (3R)-3-(4-chloranylphenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)butan-2-one Openeye Name: (3R)-3-(4-chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)butan-2-one CAS Name: (3R)-3-(4-chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-butanone IUPAC Name: (3R)-3-(4-chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)butan-2-one Traditional Name: (3R)-3-(4-chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)butan-2-one Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC1=NCCC2=CC(=C(C=C21)OC)OC)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)CC1=NCCC2=CC(=C(C=C21)OC)OC)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO4/c1-13(27-16-6-4-15(22)5-7-16)19(24)12-18-17-11-21(26-3)20(25-2)10-14(17)8-9-23-18/h4-7,10-11,13H,8-9,12H2,1-3H3/t13-/m1/s1