O2-tert-butyl O4-ethyl O1-(phenylmethyl) (2S)-5-oxidanylidenepiperidine-1,2,4-tricarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl O1-(phenylmethyl) (2S)-5-oxidanylidenepiperidine-1,2,4-tricarboxylate Openeye Name: O1-benzyl O2-tert-butyl O4-ethyl (2S)-5-oxopiperidine-1,2,4-tricarboxylate CAS Name: (2S)-5-oxopiperidine-1,2,4-tricarboxylic acid O2-tert-butyl ester O4-ethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-tert-butyl 4-O-ethyl (2S)-5-oxopiperidine-1,2,4-tricarboxylate Traditional Name: (2S)-5-ketopiperidine-1,2,4-tricarboxylic acid O1-benzyl ester O2-tert-butyl ester O4-ethyl ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(CC1=O)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1C[C@H](N(CC1=O)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

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