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

Systemtic Name: ethyl (3R,5R,6S)-5-(2,2-dimethylpropanoyloxy)-6-methyl-3-oxidanyl-2-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3R,5R,6S)-1-benzyl-5-(2,2-dimethylpropanoyloxy)-3-hydroxy-6-methyl-2-oxo-piperidine-3-carboxylate CAS Name: (3R,5R,6S)-5-(2,2-dimethyl-1-oxopropoxy)-3-hydroxy-6-methyl-2-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,5R,6S)-1-benzyl-5-(2,2-dimethylpropanoyloxy)-3-hydroxy-6-methyl-2-oxopiperidine-3-carboxylate Traditional Name: (3R,5R,6S)-1-benzyl-3-hydroxy-2-keto-6-methyl-5-pivaloyloxy-nipecotic acid ethyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6/c1-6-27-19(25)21(26)12-16(28-18(24)20(3,4)5)14(2)22(17(21)23)13-15-10-8-7-9-11-15/h7-11,14,16,26H,6,12-13H2,1-5H3/t14-,16+,21+/m0/s1