2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol Formula: C21H22BrNO4 MolecularWeight: 432.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(C(C2=C1)C3CC3)CC4=CC5=C(C=C4Br)OCO5)O

Isomeric SMILES

COC1=C(C=C2CCN(C(C2=C1)C3CC3)CC4=CC5=C(C=C4Br)OCO5)O

InChI

InChI=1S/C21H22BrNO4/c1-25-18-8-15-13(6-17(18)24)4-5-23(21(15)12-2-3-12)10-14-7-19-20(9-16(14)22)27-11-26-19/h6-9,12,21,24H,2-5,10-11H2,1H3