tert-butyl (4S,5S)-2,2-dimethyl-5-(2-oxidanylideneundecyl)-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S,5S)-2,2-dimethyl-5-(2-oxidanylideneundecyl)-4-(phenylmethyl)-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S,5S)-4-benzyl-2,2-dimethyl-5-(2-oxoundecyl)oxazolidine-3-carboxylate CAS Name: (4S,5S)-2,2-dimethyl-5-(2-oxoundecyl)-4-(phenylmethyl)-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5S)-4-benzyl-2,2-dimethyl-5-(2-oxoundecyl)-1,3-oxazolidine-3-carboxylate Traditional Name: (4S,5S)-4-benzyl-5-(2-ketoundecyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C28H45NO4 MolecularWeight: 459.6612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)CC1C(N(C(O1)(C)C)C(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC(=O)C[C@H]1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C28H45NO4/c1-7-8-9-10-11-12-16-19-23(30)21-25-24(20-22-17-14-13-15-18-22)29(28(5,6)32-25)26(31)33-27(2,3)4/h13-15,17-18,24-25H,7-12,16,19-21H2,1-6H3/t24-,25-/m0/s1