tert-butyl (3R)-3-[[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]carbonyl]dodecanoate

Systemtic Name: tert-butyl (3R)-3-[[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]carbonyl]dodecanoate Openeye Name: tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-oxazolidine-3-carbonyl]dodecanoate CAS Name: (3R)-3-[oxo-[(4S)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]methyl]dodecanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]dodecanoate Traditional Name: (3R)-3-[(4S)-4-benzyl-2-keto-oxazolidine-3-carbonyl]lauric acid tert-butyl ester Formula: C27H41NO5 MolecularWeight: 459.61814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC(=O)OC(C)(C)C)C(=O)N1C(COC1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N1[C@H](COC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C27H41NO5/c1-5-6-7-8-9-10-14-17-22(19-24(29)33-27(2,3)4)25(30)28-23(20-32-26(28)31)18-21-15-12-11-13-16-21/h11-13,15-16,22-23H,5-10,14,17-20H2,1-4H3/t22-,23+/m1/s1