tert-butyl (4S)-4-[(1S)-1-chloranylhexadec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S)-4-[(1S)-1-chloranylhexadec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-4-[(1S)-1-chlorohexadec-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4S)-4-[(1S)-1-chlorohexadec-2-ynyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(1S)-1-chlorohexadec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-[(1S)-1-chlorohexadec-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C26H46ClNO3 MolecularWeight: 456.10134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(C1COC(N1C(=O)OC(C)(C)C)(C)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCC#C[C@@H]([C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C)Cl

InChI

InChI=1S/C26H46ClNO3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(27)23-21-30-26(5,6)28(23)24(29)31-25(2,3)4/h22-23H,7-18,21H2,1-6H3/t22-,23-/m0/s1