1-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-2-cyclopropylcarbonyl-1,3,4,5,7,8-hexahydroisoquinolin-6-one

Systemtic Name: 1-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-2-cyclopropylcarbonyl-1,3,4,5,7,8-hexahydroisoquinolin-6-one Openeye Name: 1-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methyl]-2-(cyclopropanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one CAS Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-[cyclopropyl(oxo)methyl]-1,3,4,5,7,8-hexahydroisoquinolin-6-one IUPAC Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-(cyclopropanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one Traditional Name: 1-(2-bromo-5-hydroxy-4-methoxy-benzyl)-2-(cyclopropanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CC4)CC(=O)CC3)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CC4)CC(=O)CC3)O

InChI

InChI=1S/C21H24BrNO4/c1-27-20-11-17(22)14(10-19(20)25)9-18-16-5-4-15(24)8-13(16)6-7-23(18)21(26)12-2-3-12/h10-12,18,25H,2-9H2,1H3