4-(3-bromanylphenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one

Systemtic Name: 4-(3-bromanylphenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 4-(3-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 4-(3-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 4-(3-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-(3-bromophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCOC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCCOC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H24BrNO4/c1-25-19-11-15-8-9-23(14-16(15)12-20(19)26-2)21(24)7-4-10-27-18-6-3-5-17(22)13-18/h3,5-6,11-13H,4,7-10,14H2,1-2H3