tert-butyl (4S)-2,2-dimethyl-4-[(E,1R)-7-methyl-1-oxidanyl-hexadec-6-en-2-ynyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S)-2,2-dimethyl-4-[(E,1R)-7-methyl-1-oxidanyl-hexadec-6-en-2-ynyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-4-[(E,1R)-1-hydroxy-7-methyl-hexadec-6-en-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4S)-4-[(E,1R)-1-hydroxy-7-methylhexadec-6-en-2-ynyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(E,1R)-1-hydroxy-7-methylhexadec-6-en-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-[(E,1R)-1-hydroxy-7-methyl-hexadec-6-en-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C27H47NO4 MolecularWeight: 449.66638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=CCCC#CC(C1COC(N1C(=O)OC(C)(C)C)(C)C)O)C

Isomeric SMILES

CCCCCCCCC/C(=C/CCC#C[C@H]([C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C)O)/C

InChI

InChI=1S/C27H47NO4/c1-8-9-10-11-12-13-15-18-22(2)19-16-14-17-20-24(29)23-21-31-27(6,7)28(23)25(30)32-26(3,4)5/h19,23-24,29H,8-16,18,21H2,1-7H3/b22-19+/t23-,24+/m0/s1