tert-butyl (2S,3R,6R)-3,6-dimethyl-2-[(E)-5-methyl-2-oxidanylidene-hex-3-enyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R,6R)-3,6-dimethyl-2-[(E)-5-methyl-2-oxidanylidene-hex-3-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2S,3R,6R)-3,6-dimethyl-2-[(E)-5-methyl-2-oxo-hex-3-enyl]piperidine-1-carboxylate CAS Name: (2S,3R,6R)-3,6-dimethyl-2-[(E)-5-methyl-2-oxohex-3-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R,6R)-3,6-dimethyl-2-[(E)-5-methyl-2-oxohex-3-enyl]piperidine-1-carboxylate Traditional Name: (2S,3R,6R)-2-[(E)-2-keto-5-methyl-hex-3-enyl]-3,6-dimethyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C19H33NO3 MolecularWeight: 323.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(C1CC(=O)C=CC(C)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

C[C@@H]1CC[C@H](N([C@H]1CC(=O)/C=C/C(C)C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H33NO3/c1-13(2)8-11-16(21)12-17-14(3)9-10-15(4)20(17)18(22)23-19(5,6)7/h8,11,13-15,17H,9-10,12H2,1-7H3/b11-8+/t14-,15-,17+/m1/s1