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

Systemtic Name: tert-butyl 5-bromanyl-3-oxidanyl-3-(2-phenylethynyl)spiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate Openeye Name: tert-butyl 5-bromo-3-hydroxy-3-(2-phenylethynyl)spiro[benzofuran-2,4'-piperidine]-1'-carboxylate CAS Name: 5-bromo-3-hydroxy-3-(2-phenylethynyl)-1'-spiro[benzofuran-2,4'-piperidine]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-hydroxy-3-(2-phenylethynyl)spiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate Traditional Name: 5-bromo-3-hydroxy-3-(2-phenylethynyl)spiro[coumaran-2,4'-piperidine]-1'-carboxylic acid tert-butyl ester Formula: C25H26BrNO4 MolecularWeight: 484.38224

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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)(C#CC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)C(C3=C(O2)C=CC(=C3)Br)(C#CC4=CC=CC=C4)O

InChI

InChI=1S/C25H26BrNO4/c1-23(2,3)31-22(28)27-15-13-24(14-16-27)25(29,12-11-18-7-5-4-6-8-18)20-17-19(26)9-10-21(20)30-24/h4-10,17,29H,13-16H2,1-3H3