tert-butyl 2,2-dimethyl-4-(7-methyl-1-oxidanyl-hexadec-2-ynyl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl 2,2-dimethyl-4-(7-methyl-1-oxidanyl-hexadec-2-ynyl)-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl 4-(1-hydroxy-7-methyl-hexadec-2-ynyl)-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: 4-(1-hydroxy-7-methylhexadec-2-ynyl)-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-hydroxy-7-methylhexadec-2-ynyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: 4-(1-hydroxy-7-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49NO4/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/h22-24,29H,8-16,18-19,21H2,1-7H3