tert-butyl (4S)-2,2-dimethyl-4-(2-oxidanylheptadec-3-yn-2-yl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S)-2,2-dimethyl-4-(2-oxidanylheptadec-3-yn-2-yl)-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-4-(1-hydroxy-1-methyl-hexadec-2-ynyl)-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4S)-4-(2-hydroxyheptadec-3-yn-2-yl)-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(2-hydroxyheptadec-3-yn-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-(1-hydroxy-1-methyl-hexadec-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:

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

Isomeric SMILES

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

InChI

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