tert-butyl (1R,3S)-5-bromanyl-8-oxidanyl-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: tert-butyl (1R,3S)-5-bromanyl-8-oxidanyl-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: tert-butyl (1R,3S)-1-(benzyloxymethyl)-5-bromo-8-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: (1R,3S)-5-bromo-8-hydroxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,3S)-5-bromo-8-hydroxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: (1R,3S)-1-(benzoxymethyl)-5-bromo-8-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid tert-butyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC2=C(C=CC(=C2C(N1)COCC3=CC=CC=C3)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CC2=C(C=CC(=C2[C@@H](N1)COCC3=CC=CC=C3)O)Br

InChI

InChI=1S/C22H26BrNO4/c1-22(2,3)28-21(26)17-11-15-16(23)9-10-19(25)20(15)18(24-17)13-27-12-14-7-5-4-6-8-14/h4-10,17-18,24-25H,11-13H2,1-3H3/t17-,18-/m0/s1