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

Systemtic Name: tert-butyl (3R)-3-[[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]carbonyl]undecanoate Openeye Name: tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-oxazolidine-3-carbonyl]undecanoate CAS Name: (3R)-3-[oxo-[(4S)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]methyl]undecanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]undecanoate Traditional Name: (3R)-3-[(4S)-4-benzyl-2-keto-oxazolidine-3-carbonyl]undecanoic acid tert-butyl ester Formula: C26H39NO5 MolecularWeight: 445.59156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO5/c1-5-6-7-8-9-13-16-21(18-23(28)32-26(2,3)4)24(29)27-22(19-31-25(27)30)17-20-14-11-10-12-15-20/h10-12,14-15,21-22H,5-9,13,16-19H2,1-4H3/t21-,22+/m1/s1