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

Systemtic Name: 1-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-2-cyclobutylcarbonyl-1,3,4,5,7,8-hexahydroisoquinolin-6-one Openeye Name: 1-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methyl]-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one CAS Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-[cyclobutyl(oxo)methyl]-1,3,4,5,7,8-hexahydroisoquinolin-6-one IUPAC Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one Traditional Name: 1-(2-bromo-5-hydroxy-4-methoxy-benzyl)-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CCC4)CC(=O)CC3)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CCC4)CC(=O)CC3)O

InChI

InChI=1S/C22H26BrNO4/c1-28-21-12-18(23)15(11-20(21)26)10-19-17-6-5-16(25)9-14(17)7-8-24(19)22(27)13-3-2-4-13/h11-13,19,26H,2-10H2,1H3