tert-butyl (4S)-2,2-dimethyl-4-[(1R)-1-oxidanyltridec-12-en-2-ynyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S)-2,2-dimethyl-4-[(1R)-1-oxidanyltridec-12-en-2-ynyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-4-[(1R)-1-hydroxytridec-12-en-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4S)-4-[(1R)-1-hydroxytridec-12-en-2-ynyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(1R)-1-hydroxytridec-12-en-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-[(1R)-1-hydroxytridec-12-en-2-ynyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C23H39NO4 MolecularWeight: 393.56006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(CO1)C(C#CCCCCCCCCC=C)O)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(N([C@@H](CO1)[C@@H](C#CCCCCCCCCC=C)O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-16-17-20(25)19-18-27-23(5,6)24(19)21(26)28-22(2,3)4/h7,19-20,25H,1,8-15,18H2,2-6H3/t19-,20+/m0/s1