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

Systemtic Name: (3S)-8-bromanyl-7-methoxy-6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: (3S)-8-bromo-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: (3S)-8-bromo-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: (3S)-8-bromo-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: (3S)-8-bromo-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C11H12BrNO4 MolecularWeight: 302.12128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO4/c1-17-10-8(14)3-5-2-7(11(15)16)13-4-6(5)9(10)12/h3,7,13-14H,2,4H2,1H3,(H,15,16)/t7-/m0/s1