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

Systemtic Name: 1-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-6-oxidanylidene-1,3,4,7,8,8a-hexahydroisoquinoline-2-carbaldehyde Openeye Name: 1-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methyl]-6-oxo-1,3,4,7,8,8a-hexahydroisoquinoline-2-carbaldehyde CAS Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-6-oxo-1,3,4,7,8,8a-hexahydroisoquinoline-2-carboxaldehyde IUPAC Name: 1-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-6-oxo-1,3,4,7,8,8a-hexahydroisoquinoline-2-carbaldehyde Traditional Name: 1-(2-bromo-5-hydroxy-4-methoxy-benzyl)-6-keto-1,3,4,7,8,8a-hexahydroisoquinoline-2-carbaldehyde Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO4/c1-24-18-9-15(19)12(8-17(18)23)7-16-14-3-2-13(22)6-11(14)4-5-20(16)10-21/h6,8-10,14,16,23H,2-5,7H2,1H3