tert-butyl (2S,3R,6S)-3-butyl-2-(hydroxymethyl)-6-prop-2-enyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R,6S)-3-butyl-2-(hydroxymethyl)-6-prop-2-enyl-piperidine-1-carboxylate Openeye Name: tert-butyl (2S,3R,6S)-6-allyl-3-butyl-2-(hydroxymethyl)piperidine-1-carboxylate CAS Name: (2S,3R,6S)-3-butyl-2-(hydroxymethyl)-6-prop-2-enyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R,6S)-3-butyl-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate Traditional Name: (2S,3R,6S)-6-allyl-3-butyl-2-methylol-piperidine-1-carboxylic acid tert-butyl ester Formula: C18H33NO3 MolecularWeight: 311.45952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N(C1CO)C(=O)OC(C)(C)C)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H33NO3/c1-6-8-10-14-11-12-15(9-7-2)19(16(14)13-20)17(21)22-18(3,4)5/h7,14-16,20H,2,6,8-13H2,1,3-5H3/t14-,15-,16-/m1/s1