tert-butyl 5-bromanyl-3-oxidanyl-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-oxidanyl-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate Openeye Name: tert-butyl 5-bromo-3-hydroxy-spiro[3H-benzofuran-2,4'-piperidine]-1'-carboxylate CAS Name: 5-bromo-3-hydroxy-1'-spiro[3H-benzofuran-2,4'-piperidine]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-hydroxyspiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate Traditional Name: 5-bromo-3-hydroxy-spiro[coumaran-2,4'-piperidine]-1'-carboxylic acid tert-butyl ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)C(C3=C(O2)C=CC(=C3)Br)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)C(C3=C(O2)C=CC(=C3)Br)O

InChI

InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(21)19-8-6-17(7-9-19)14(20)12-10-11(18)4-5-13(12)22-17/h4-5,10,14,20H,6-9H2,1-3H3