tert-butyl (2S,6R)-2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-hexyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,6R)-2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-hexyl-piperidine-1-carboxylate Openeye Name: tert-butyl (2S,6R)-2-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-6-hexyl-piperidine-1-carboxylate CAS Name: (2S,6R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-hexyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,6R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-hexylpiperidine-1-carboxylate Traditional Name: (2S,6R)-2-[(E)-3-ethoxy-3-keto-prop-1-enyl]-6-hexyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H37NO4 MolecularWeight: 367.52278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCC(N1C(=O)OC(C)(C)C)C=CC(=O)OCC

Isomeric SMILES

CCCCCC[C@@H]1CCC[C@H](N1C(=O)OC(C)(C)C)/C=C/C(=O)OCC

InChI

InChI=1S/C21H37NO4/c1-6-8-9-10-12-17-13-11-14-18(15-16-19(23)25-7-2)22(17)20(24)26-21(3,4)5/h15-18H,6-14H2,1-5H3/b16-15+/t17-,18+/m1/s1