tert-butyl (2S)-2-[(3E,5E)-dodeca-3,5-dienyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(3E,5E)-dodeca-3,5-dienyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(3E,5E)-dodeca-3,5-dienyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(3E,5E)-dodeca-3,5-dienyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(3E,5E)-dodeca-3,5-dienyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(3E,5E)-dodeca-3,5-dienyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H37NO2 MolecularWeight: 335.52398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC=CCCC1CCCN1C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC/C=C/C=C/CC[C@H]1CCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C21H37NO2/c1-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-22(19)20(23)24-21(2,3)4/h10-13,19H,5-9,14-18H2,1-4H3/b11-10+,13-12+/t19-/m0/s1