ethyl (1S,5R)-1-but-3-enyl-9-oxidanylidene-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-5-carboxylate

Systemtic Name: ethyl (1S,5R)-1-but-3-enyl-9-oxidanylidene-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-5-carboxylate Openeye Name: ethyl (1S,5R)-1-but-3-enyl-9-oxo-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-5-carboxylate CAS Name: (1S,5R)-1-but-3-enyl-9-oxo-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5R)-1-but-3-enyl-9-oxo-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-5-carboxylate Traditional Name: (1S,5R)-1-but-3-enyl-9-keto-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCC(C1=O)(CN(C2)CCCC3=CC=CC=C3)CCC=C

Isomeric SMILES

CCOC(=O)[C@@]12CCC[C@@](C1=O)(CN(C2)CCCC3=CC=CC=C3)CCC=C

InChI

InChI=1S/C24H33NO3/c1-3-5-14-23-15-10-16-24(21(23)26,22(27)28-4-2)19-25(18-23)17-9-13-20-11-7-6-8-12-20/h3,6-8,11-12H,1,4-5,9-10,13-19H2,2H3/t23-,24-/m1/s1