ethyl (3R,5R,6S)-5-(2,2-dimethylpropanoyloxy)-6-methyl-2-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R,5R,6S)-5-(2,2-dimethylpropanoyloxy)-6-methyl-2-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3R,5R,6S)-1-benzyl-5-(2,2-dimethylpropanoyloxy)-6-methyl-2-oxo-piperidine-3-carboxylate CAS Name: (3R,5R,6S)-5-(2,2-dimethyl-1-oxopropoxy)-6-methyl-2-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,5R,6S)-1-benzyl-5-(2,2-dimethylpropanoyloxy)-6-methyl-2-oxopiperidine-3-carboxylate Traditional Name: (3R,5R,6S)-1-benzyl-2-keto-6-methyl-5-pivaloyloxy-nipecotic acid ethyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(N(C1=O)CC2=CC=CC=C2)C)OC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@H]([C@@H](N(C1=O)CC2=CC=CC=C2)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C21H29NO5/c1-6-26-19(24)16-12-17(27-20(25)21(3,4)5)14(2)22(18(16)23)13-15-10-8-7-9-11-15/h7-11,14,16-17H,6,12-13H2,1-5H3/t14-,16+,17+/m0/s1