1'-butanoyl-5-(3,3-dimethylbut-1-ynyl)spiro[1-benzofuran-2,4'-piperidine]-3-one

Systemtic Name: 1'-butanoyl-5-(3,3-dimethylbut-1-ynyl)spiro[1-benzofuran-2,4'-piperidine]-3-one Openeye Name: 1'-butanoyl-5-(3,3-dimethylbut-1-ynyl)spiro[benzofuran-2,4'-piperidine]-3-one CAS Name: 5-(3,3-dimethylbut-1-ynyl)-1'-(1-oxobutyl)-3-spiro[benzofuran-2,4'-piperidine]one IUPAC Name: 1'-butanoyl-5-(3,3-dimethylbut-1-ynyl)spiro[1-benzofuran-2,4'-piperidine]-3-one Traditional Name: 1'-butyryl-5-(3,3-dimethylbut-1-ynyl)spiro[coumaran-2,4'-piperidine]-3-one Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2(CC1)C(=O)C3=C(O2)C=CC(=C3)C#CC(C)(C)C

Isomeric SMILES

CCCC(=O)N1CCC2(CC1)C(=O)C3=C(O2)C=CC(=C3)C#CC(C)(C)C

InChI

InChI=1S/C22H27NO3/c1-5-6-19(24)23-13-11-22(12-14-23)20(25)17-15-16(7-8-18(17)26-22)9-10-21(2,3)4/h7-8,15H,5-6,11-14H2,1-4H3