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

Systemtic Name: 1'-butanoyl-5-[2-(4-methoxyphenyl)ethynyl]spiro[1-benzofuran-2,4'-piperidine]-3-one Openeye Name: 1'-butanoyl-5-[2-(4-methoxyphenyl)ethynyl]spiro[benzofuran-2,4'-piperidine]-3-one CAS Name: 5-[2-(4-methoxyphenyl)ethynyl]-1'-(1-oxobutyl)-3-spiro[benzofuran-2,4'-piperidine]one IUPAC Name: 1'-butanoyl-5-[2-(4-methoxyphenyl)ethynyl]spiro[1-benzofuran-2,4'-piperidine]-3-one Traditional Name: 1'-butyryl-5-[2-(4-methoxyphenyl)ethynyl]spiro[coumaran-2,4'-piperidine]-3-one Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4/c1-3-4-23(27)26-15-13-25(14-16-26)24(28)21-17-19(9-12-22(21)30-25)6-5-18-7-10-20(29-2)11-8-18/h7-12,17H,3-4,13-16H2,1-2H3