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

Systemtic Name: methyl 1-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-6-oxidanyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methyl]-6-hydroxy-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-6-hydroxy-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-6-hydroxy-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-bromo-5-hydroxy-4-methoxy-benzyl)-6-hydroxy-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C19H24BrNO5 MolecularWeight: 426.30156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)OC)CC(CC3)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)OC)CC(CC3)O)O

InChI

InChI=1S/C19H24BrNO5/c1-25-18-10-15(20)12(9-17(18)23)8-16-14-4-3-13(22)7-11(14)5-6-21(16)19(24)26-2/h9-10,13,16,22-23H,3-8H2,1-2H3