tert-butyl 5-(octylamino)-3-oxidanylidene-spiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate

Systemtic Name: tert-butyl 5-(octylamino)-3-oxidanylidene-spiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate Openeye Name: tert-butyl 5-(octylamino)-3-oxo-spiro[benzofuran-2,4'-piperidine]-1'-carboxylate CAS Name: 5-(octylamino)-3-oxo-1'-spiro[benzofuran-2,4'-piperidine]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(octylamino)-3-oxospiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate Traditional Name: 3-keto-5-(octylamino)spiro[coumaran-2,4'-piperidine]-1'-carboxylic acid tert-butyl ester Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC2=C(C=C1)OC3(C2=O)CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCNC1=CC2=C(C=C1)OC3(C2=O)CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H38N2O4/c1-5-6-7-8-9-10-15-26-19-11-12-21-20(18-19)22(28)25(30-21)13-16-27(17-14-25)23(29)31-24(2,3)4/h11-12,18,26H,5-10,13-17H2,1-4H3