5-bromanyl-1-[1-(4-hydroxyphenyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one

Systemtic Name: 5-bromanyl-1-[1-(4-hydroxyphenyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Openeye Name: 5-bromo-1-[1-(4-hydroxyphenyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one CAS Name: 5-bromo-1-[1-(4-hydroxyphenyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-pentanone IUPAC Name: 5-bromo-1-[1-(4-hydroxyphenyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Traditional Name: 5-bromo-1-[1-(4-hydroxyphenyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(N(CCC2=C1)C(=O)CCCCBr)C3=CC=C(C=C3)O)OC

Isomeric SMILES

COC1=CC(=C2C(N(CCC2=C1)C(=O)CCCCBr)C3=CC=C(C=C3)O)OC

InChI

InChI=1S/C22H26BrNO4/c1-27-18-13-16-10-12-24(20(26)5-3-4-11-23)22(21(16)19(14-18)28-2)15-6-8-17(25)9-7-15/h6-9,13-14,22,25H,3-5,10-12H2,1-2H3