ethyl (2S)-3-[(1R)-1-phenylethyl]-3-azabicyclo[2.2.2]octane-2-carboxylate

Systemtic Name: ethyl (2S)-3-[(1R)-1-phenylethyl]-3-azabicyclo[2.2.2]octane-2-carboxylate Openeye Name: ethyl (2S)-3-[(1R)-1-phenylethyl]-3-azabicyclo[2.2.2]octane-2-carboxylate CAS Name: (2S)-3-[(1R)-1-phenylethyl]-3-azabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S)-3-[(1R)-1-phenylethyl]-3-azabicyclo[2.2.2]octane-2-carboxylate Traditional Name: (2S)-3-[(1R)-1-phenylethyl]-3-azabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(N1C(C)C3=CC=CC=C3)CC2

Isomeric SMILES

CCOC(=O)[C@@H]1C2CCC(N1[C@H](C)C3=CC=CC=C3)CC2

InChI

InChI=1S/C18H25NO2/c1-3-21-18(20)17-15-9-11-16(12-10-15)19(17)13(2)14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3/t13-,15?,16?,17+/m1/s1