tert-butyl (4S)-2,2-dimethyl-4-[(1R,14R)-14-methyl-1-oxidanyl-icos-2-ynyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S)-2,2-dimethyl-4-[(1R,14R)-14-methyl-1-oxidanyl-icos-2-ynyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-4-[(1R,14R)-1-hydroxy-14-methyl-icos-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4S)-4-[(1R,14R)-1-hydroxy-14-methyleicos-2-ynyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(1R,14R)-1-hydroxy-14-methylicos-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-[(1R,14R)-1-hydroxy-14-methyl-eicos-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C31H57NO4 MolecularWeight: 507.78858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CCCCCCCCCCC#CC(C1COC(N1C(=O)OC(C)(C)C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C31H57NO4/c1-8-9-10-19-22-26(2)23-20-17-15-13-11-12-14-16-18-21-24-28(33)27-25-35-31(6,7)32(27)29(34)36-30(3,4)5/h26-28,33H,8-20,22-23,25H2,1-7H3/t26-,27+,28-/m1/s1