1-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one

Systemtic Name: 1-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one Openeye Name: 1-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one CAS Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one IUPAC Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one Traditional Name: 1-(2-bromo-5-hydroxy-4-methoxy-benzyl)-2,3,4,7,8,8a-hexahydro-1H-isoquinolin-6-one Formula: C17H20BrNO3 MolecularWeight: 366.2496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)CC2C3CCC(=O)C=C3CCN2)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)CC2C3CCC(=O)C=C3CCN2)O

InChI

InChI=1S/C17H20BrNO3/c1-22-17-9-14(18)11(8-16(17)21)7-15-13-3-2-12(20)6-10(13)4-5-19-15/h6,8-9,13,15,19,21H,2-5,7H2,1H3