methyl 1-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-6-oxidanylidene-1,3,4,7,8,8a-hexahydroisoquinoline-2-carboxylate

Systemtic Name: methyl 1-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-6-oxidanylidene-1,3,4,7,8,8a-hexahydroisoquinoline-2-carboxylate Openeye Name: methyl 1-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methyl]-6-oxo-1,3,4,7,8,8a-hexahydroisoquinoline-2-carboxylate CAS Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-6-oxo-1,3,4,7,8,8a-hexahydroisoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-6-oxo-1,3,4,7,8,8a-hexahydroisoquinoline-2-carboxylate Traditional Name: 1-(2-bromo-5-hydroxy-4-methoxy-benzyl)-6-keto-1,3,4,7,8,8a-hexahydroisoquinoline-2-carboxylic acid methyl ester Formula: C19H22BrNO5 MolecularWeight: 424.28568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)CC2C3CCC(=O)C=C3CCN2C(=O)OC)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)CC2C3CCC(=O)C=C3CCN2C(=O)OC)O

InChI

InChI=1S/C19H22BrNO5/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/h7,9-10,14,16,23H,3-6,8H2,1-2H3