methyl (3S)-8-bromanyl-7-methoxy-6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-8-bromanyl-7-methoxy-6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl (3S)-8-bromo-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (3S)-8-bromo-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-8-bromo-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (3S)-8-bromo-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(NCC2=C1Br)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C2C[C@H](NCC2=C1Br)C(=O)OC)O

InChI

InChI=1S/C12H14BrNO4/c1-17-11-9(15)4-6-3-8(12(16)18-2)14-5-7(6)10(11)13/h4,8,14-15H,3,5H2,1-2H3/t8-/m0/s1