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

Systemtic Name: tert-butyl (4S)-2,2-dimethyl-4-[(1R)-1-oxidanylheptadec-2-ynyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-4-[(1R)-1-hydroxyheptadec-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4S)-4-[(1R)-1-hydroxyheptadec-2-ynyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(1R)-1-hydroxyheptadec-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-[(1R)-1-hydroxyheptadec-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C27H49NO4 MolecularWeight: 451.68226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC#CC(C1COC(N1C(=O)OC(C)(C)C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C27H49NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(29)23-22-31-27(5,6)28(23)25(30)32-26(2,3)4/h23-24,29H,7-19,22H2,1-6H3/t23-,24+/m0/s1