tert-butyl 2-(4-ethoxy-4-oxidanylidene-1-phenylmethoxy-but-2-ynyl)-4-oxa-1-azaspiro[4.5]decane-1-carboxylate

Systemtic Name: tert-butyl 2-(4-ethoxy-4-oxidanylidene-1-phenylmethoxy-but-2-ynyl)-4-oxa-1-azaspiro[4.5]decane-1-carboxylate Openeye Name: tert-butyl 2-(1-benzyloxy-4-ethoxy-4-oxo-but-2-ynyl)-4-oxa-1-azaspiro[4.5]decane-1-carboxylate CAS Name: 2-(4-ethoxy-4-oxo-1-phenylmethoxybut-2-ynyl)-4-oxa-1-azaspiro[4.5]decane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-ethoxy-4-oxo-1-phenylmethoxybut-2-ynyl)-4-oxa-1-azaspiro[4.5]decane-1-carboxylate Traditional Name: 2-(1-benzoxy-4-ethoxy-4-keto-but-2-ynyl)-4-oxa-1-azaspiro[4.5]decane-1-carboxylic acid tert-butyl ester Formula: C26H35NO6 MolecularWeight: 457.5592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(C1COC2(N1C(=O)OC(C)(C)C)CCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C#CC(C1COC2(N1C(=O)OC(C)(C)C)CCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H35NO6/c1-5-30-23(28)15-14-22(31-18-20-12-8-6-9-13-20)21-19-32-26(16-10-7-11-17-26)27(21)24(29)33-25(2,3)4/h6,8-9,12-13,21-22H,5,7,10-11,16-19H2,1-4H3