O2-tert-butyl O5-ethyl O1-(phenylmethyl) (2S)-4-oxidanylidenepiperidine-1,2,5-tricarboxylate

Systemtic Name: O2-tert-butyl O5-ethyl O1-(phenylmethyl) (2S)-4-oxidanylidenepiperidine-1,2,5-tricarboxylate Openeye Name: O1-benzyl O2-tert-butyl O5-ethyl (2S)-4-oxopiperidine-1,2,5-tricarboxylate CAS Name: (2S)-4-oxopiperidine-1,2,5-tricarboxylic acid O2-tert-butyl ester O5-ethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-tert-butyl 5-O-ethyl (2S)-4-oxopiperidine-1,2,5-tricarboxylate Traditional Name: (2S)-4-ketopiperidine-1,2,5-tricarboxylic acid O1-benzyl ester O2-tert-butyl ester O5-ethyl ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C(CC1=O)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CN([C@@H](CC1=O)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO7/c1-5-27-18(24)15-12-22(20(26)28-13-14-9-7-6-8-10-14)16(11-17(15)23)19(25)29-21(2,3)4/h6-10,15-16H,5,11-13H2,1-4H3/t15?,16-/m0/s1