tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-(12-methyltridecyl)oxazolidine-3-carboxylate CAS Name: (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-(12-methyltridecyl)-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-oxazolidine-3-carboxylate Traditional Name: (4R,5R)-2,2-dimethyl-4-methylol-5-(12-methyltridecyl)oxazolidine-3-carboxylic acid tert-butyl ester Formula: C25H49NO4 MolecularWeight: 427.66086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC1C(N(C(O1)(C)C)C(=O)OC(C)(C)C)CO

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)CO

InChI

InChI=1S/C25H49NO4/c1-20(2)17-15-13-11-9-8-10-12-14-16-18-22-21(19-27)26(25(6,7)29-22)23(28)30-24(3,4)5/h20-22,27H,8-19H2,1-7H3/t21-,22-/m1/s1