ethyl (1R,5S)-9-oxidanylidene-3-(3-phenylpropyl)-1-prop-2-enyl-3-azabicyclo[3.3.1]nonane-5-carboxylate

Systemtic Name: ethyl (1R,5S)-9-oxidanylidene-3-(3-phenylpropyl)-1-prop-2-enyl-3-azabicyclo[3.3.1]nonane-5-carboxylate Openeye Name: ethyl (1R,5S)-1-allyl-9-oxo-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-5-carboxylate CAS Name: (1R,5S)-9-oxo-3-(3-phenylpropyl)-1-prop-2-enyl-3-azabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,5S)-9-oxo-3-(3-phenylpropyl)-1-prop-2-enyl-3-azabicyclo[3.3.1]nonane-5-carboxylate Traditional Name: (1R,5S)-1-allyl-9-keto-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-3-13-22-14-9-15-23(20(22)25,21(26)27-4-2)18-24(17-22)16-8-12-19-10-6-5-7-11-19/h3,5-7,10-11H,1,4,8-9,12-18H2,2H3/t22-,23-/m0/s1