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

Systemtic Name: tert-butyl (3R)-3-[[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]carbonyl]heptanoate Openeye Name: tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-oxazolidine-3-carbonyl]heptanoate CAS Name: (3R)-3-[oxo-[(4S)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]methyl]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]heptanoate Traditional Name: (3R)-3-[(4S)-4-benzyl-2-keto-oxazolidine-3-carbonyl]enanthic acid tert-butyl ester Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO5/c1-5-6-12-17(14-19(24)28-22(2,3)4)20(25)23-18(15-27-21(23)26)13-16-10-8-7-9-11-16/h7-11,17-18H,5-6,12-15H2,1-4H3/t17-,18+/m1/s1