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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-6-ol Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(C(C2=C1)C3=CC=CS3)CC4=CC5=C(C=C4Br)OCO5)O

Isomeric SMILES

COC1=C(C=C2CCN(C(C2=C1)C3=CC=CS3)CC4=CC5=C(C=C4Br)OCO5)O

InChI

InChI=1S/C22H20BrNO4S/c1-26-18-9-15-13(7-17(18)25)4-5-24(22(15)21-3-2-6-29-21)11-14-8-19-20(10-16(14)23)28-12-27-19/h2-3,6-10,22,25H,4-5,11-12H2,1H3