ethyl (1S,2S,4R)-2-propan-2-yl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

Systemtic Name: ethyl (1S,2S,4R)-2-propan-2-yl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Openeye Name: ethyl (1S,2S,4R)-2-isopropyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate CAS Name: (1S,2S,4R)-2-propan-2-yl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S,4R)-2-propan-2-yl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Traditional Name: (1S,2S,4R)-2-isopropyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid ethyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC(C1C(C)C)C=C2

Isomeric SMILES

CCOC(=O)N1[C@@H]2CC[C@H]([C@@H]1C(C)C)C=C2

InChI

InChI=1S/C13H21NO2/c1-4-16-13(15)14-11-7-5-10(6-8-11)12(14)9(2)3/h5,7,9-12H,4,6,8H2,1-3H3/t10-,11+,12+/m1/s1